CID 562279

Benzyl n-(prop-2-en-1-yl)carbamate

Structural Information

Molecular Formula
C11H13NO2
SMILES
C=CCNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C11H13NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,12,13)
InChIKey
OSLGKRDOEMLAJV-UHFFFAOYSA-N
Compound name
benzyl N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

392
Patents

191.09464 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 142.0
[M+Na]+ 214.083858 148.1
[M-H]- 190.087364 145.3
[M+NH4]+ 209.128463 161.1
[M+K]+ 230.057798 145.9
[M+H-H2O]+ 174.091900 135.5
[M+HCOO]- 236.092841 166.8
[M+CH3COO]- 250.108491 184.0
[M+Na-2H]- 212.069306 148.2
[M]+ 191.09409142 142.5
[M]- 191.09518858 142.5
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