CID 17451

Methyl n-phenylcarbamate

Structural Information

Molecular Formula
C8H9NO2
SMILES
COC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKey
IAGUPODHENSJEZ-UHFFFAOYSA-N
Compound name
methyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1766
Patents

151.06332 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 130.2
[M+Na]+ 174.05254 141.9
[M+NH4]+ 169.09714 138.6
[M+K]+ 190.02648 136.2
[M-H]- 150.05604 132.4
[M+Na-2H]- 172.03799 137.5
[M]+ 151.06277 132.3
[M]- 151.06387 132.3
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