CID 36380

3-methylphenyl carbamate

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=CC(=CC=C1)OC(=O)N
InChI
InChI=1S/C8H9NO2/c1-6-3-2-4-7(5-6)11-8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey
VTONZKDPQTYHLV-UHFFFAOYSA-N
Compound name
(3-methylphenyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

151.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.2
[M+Na]+ 174.052538 137.2
[M-H]- 150.056044 132.9
[M+NH4]+ 169.097143 150.0
[M+K]+ 190.026478 136.0
[M+H-H2O]+ 134.060580 123.5
[M+HCOO]- 196.061521 154.2
[M+CH3COO]- 210.077171 176.9
[M+Na-2H]- 172.037986 135.2
[M]+ 151.06277142 128.8
[M]- 151.06386858 128.8
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