CID 10398106

Benzyl (3-oxopropyl)carbamate

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1=CC=C(C=C1)COC(=O)NCCC=O
InChI
InChI=1S/C11H13NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,8H,4,7,9H2,(H,12,14)
InChIKey
PQMOZOQTXKMYSK-UHFFFAOYSA-N
Compound name
benzyl N-(3-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

573
Patents

207.08954 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.9
[M+Na]+ 230.07876 150.8
[M-H]- 206.08226 148.1
[M+NH4]+ 225.12336 163.2
[M+K]+ 246.05270 149.2
[M+H-H2O]+ 190.08680 138.1
[M+HCOO]- 252.08774 169.9
[M+CH3COO]- 266.10339 186.0
[M+Na-2H]- 228.06421 151.1
[M]+ 207.08899 146.8
[M]- 207.09009 146.8
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.