CID 16034

Phenyl methylcarbamate

Structural Information

Molecular Formula
C8H9NO2
SMILES
CNC(=O)OC1=CC=CC=C1
InChI
InChI=1S/C8H9NO2/c1-9-8(10)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKey
SCWKRWCUMCMVPW-UHFFFAOYSA-N
Compound name
phenyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

3639
Patents

151.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.3
[M+Na]+ 174.05254 136.4
[M-H]- 150.05604 133.1
[M+NH4]+ 169.09714 150.1
[M+K]+ 190.02648 135.6
[M+H-H2O]+ 134.06058 123.4
[M+HCOO]- 196.06152 155.0
[M+CH3COO]- 210.07717 175.7
[M+Na-2H]- 172.03799 137.1
[M]+ 151.06277 129.5
[M]- 151.06387 129.5
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