CID 165946614

Tert-butyl (1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[2.5]octan-6-yl)carbamate

Structural Information

Molecular Formula
C19H34BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC23CCC(CC3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C19H34BNO4/c1-16(2,3)23-15(22)21-13-8-10-19(11-9-13)12-14(19)20-24-17(4,5)18(6,7)25-20/h13-14H,8-12H2,1-7H3,(H,21,22)
InChIKey
BKTZBKQESSXWOO-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[2.5]octan-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.2581 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.26538 177.4
[M+Na]+ 374.24732 183.8
[M-H]- 350.25082 187.3
[M+NH4]+ 369.29192 191.3
[M+K]+ 390.22126 186.1
[M+H-H2O]+ 334.25536 175.1
[M+HCOO]- 396.25630 189.8
[M+CH3COO]- 410.27195 216.4
[M+Na-2H]- 372.23277 181.5
[M]+ 351.25755 181.8
[M]- 351.25865 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.