CID 23532303

Benzyl (3-bromo-2-oxopropyl)carbamate

Structural Information

Molecular Formula
C11H12BrNO3
SMILES
C1=CC=C(C=C1)COC(=O)NCC(=O)CBr
InChI
InChI=1S/C11H12BrNO3/c12-6-10(14)7-13-11(15)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)
InChIKey
MAOVWRHEZMBKKU-UHFFFAOYSA-N
Compound name
benzyl N-(3-bromo-2-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.00006 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00734 155.1
[M+Na]+ 307.98928 163.7
[M-H]- 283.99278 160.6
[M+NH4]+ 303.03388 173.7
[M+K]+ 323.96322 153.2
[M+H-H2O]+ 267.99732 153.6
[M+HCOO]- 329.99826 176.3
[M+CH3COO]- 344.01391 196.5
[M+Na-2H]- 305.97473 160.8
[M]+ 284.99951 174.7
[M]- 285.00061 174.7
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

patents stripe