CID 53329567

1202794-01-1

Structural Information

Molecular Formula
C14H26BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C14H26BNO4/c1-10(9-16-11(17)18-12(2,3)4)15-19-13(5,6)14(7,8)20-15/h1,9H2,2-8H3,(H,16,17)
InChIKey
QACWDBPHSRQMNX-UHFFFAOYSA-N
Compound name
tert-butyl 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

42
Patents

283.1955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20278 162.5
[M+Na]+ 306.18472 168.8
[M-H]- 282.18822 167.3
[M+NH4]+ 301.22932 181.8
[M+K]+ 322.15866 170.7
[M+H-H2O]+ 266.19276 160.2
[M+HCOO]- 328.19370 179.9
[M+CH3COO]- 342.20935 203.0
[M+Na-2H]- 304.17017 167.0
[M]+ 283.19495 166.9
[M]- 283.19605 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe