CID 69322

Phenyl carbamate

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1=CC=C(C=C1)OC(=O)N
InChI
InChI=1S/C7H7NO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChIKey
BSCCSDNZEIHXOK-UHFFFAOYSA-N
Compound name
phenyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

30054
Patents

137.04768 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 124.9
[M+Na]+ 160.03690 132.4
[M-H]- 136.04040 128.4
[M+NH4]+ 155.08150 146.0
[M+K]+ 176.01084 131.5
[M+H-H2O]+ 120.04494 119.2
[M+HCOO]- 182.04588 150.3
[M+CH3COO]- 196.06153 172.7
[M+Na-2H]- 158.02235 132.2
[M]+ 137.04713 123.8
[M]- 137.04823 123.8
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