PubChemLite - 1681053-96-2 (C26H48BClO5Si)

Structural Information

Molecular Formula

SMILES

B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@@H](CC[C@@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)Cl

InChI

InChI=1S/C26H48BClO5Si/c1-23(2,3)30-22(29)16-18(32-34(10,11)24(4,5)6)12-13-21(28)27-31-20-15-17-14-19(25(17,7)8)26(20,9)33-27/h17-21H,12-16H2,1-11H3/t17-,18-,19-,20+,21+,26-/m0/s1

InChIKey

IGECAYLIZBERQG-LZZOSOCDSA-N

Compound name

tert-butyl (3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-6-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	515.31252	218.8
[M+Na]+	537.29446	219.0
[M+NH4]+	532.33906	222.9
[M+K]+	553.26840	216.4
[M-H]-	513.29796	213.5
[M+Na-2H]-	535.27991	211.6
[M]+	514.30469	216.8
[M]-	514.30579	216.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

515.31252

218.8

[M+Na]+

537.29446

219.0

[M+NH4]+

532.33906

222.9

[M+K]+

553.26840

216.4

[M-H]-

513.29796

213.5

[M+Na-2H]-

535.27991

211.6

[M]+

514.30469

216.8

[M]-

514.30579

216.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1681053-96-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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