CID 142418346

Tert-butyl (s)-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl)carbamate

Structural Information

Molecular Formula
C15H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)[C@H](C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H28BNO4/c1-10(11(2)17-12(18)19-13(3,4)5)16-20-14(6,7)15(8,9)21-16/h11H,1H2,2-9H3,(H,17,18)/t11-/m0/s1
InChIKey
CGFBBRJANDCSLM-NSHDSACASA-N
Compound name
tert-butyl N-[(2S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21843 166.7
[M+Na]+ 320.20037 172.3
[M-H]- 296.20387 171.4
[M+NH4]+ 315.24497 185.4
[M+K]+ 336.17431 174.6
[M+H-H2O]+ 280.20841 164.5
[M+HCOO]- 342.20935 182.8
[M+CH3COO]- 356.22500 206.9
[M+Na-2H]- 318.18582 169.5
[M]+ 297.21060 170.9
[M]- 297.21170 170.9
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.