CID 142561846

1648929-99-0

Structural Information

Molecular Formula
C15H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)CN(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H28BNO4/c1-11(10-17(9)12(18)19-13(2,3)4)16-20-14(5,6)15(7,8)21-16/h1,10H2,2-9H3
InChIKey
LXCWVVWYJTWTQE-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21843 165.3
[M+Na]+ 320.20037 171.4
[M-H]- 296.20387 171.4
[M+NH4]+ 315.24497 184.8
[M+K]+ 336.17431 174.6
[M+H-H2O]+ 280.20841 163.0
[M+HCOO]- 342.20935 183.0
[M+CH3COO]- 356.22500 209.3
[M+Na-2H]- 318.18582 168.7
[M]+ 297.21060 171.4
[M]- 297.21170 171.4
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.