CID 12136

Benzyl carbamate

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1=CC=C(C=C1)COC(=O)N
InChI
InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKey
PUJDIJCNWFYVJX-UHFFFAOYSA-N
Compound name
benzyl carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

34270
Patents

151.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.6
[M+Na]+ 174.052538 136.7
[M-H]- 150.056044 132.9
[M+NH4]+ 169.097143 150.1
[M+K]+ 190.026478 135.5
[M+H-H2O]+ 134.060580 123.7
[M+HCOO]- 196.061521 154.6
[M+CH3COO]- 210.077171 175.7
[M+Na-2H]- 172.037986 136.4
[M]+ 151.06277142 128.9
[M]- 151.06386858 128.9
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