CID 75785

Isopropyl m-tolylcarbamate

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC1=CC(=CC=C1)NC(=O)OC(C)C
InChI
InChI=1S/C11H15NO2/c1-8(2)14-11(13)12-10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H,12,13)
InChIKey
DFBONKKNEQNADO-UHFFFAOYSA-N
Compound name
propan-2-yl N-(3-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

193.11028 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 143.2
[M+Na]+ 216.099498 149.7
[M-H]- 192.103004 146.9
[M+NH4]+ 211.144103 162.6
[M+K]+ 232.073438 148.7
[M+H-H2O]+ 176.107540 137.0
[M+HCOO]- 238.108481 166.8
[M+CH3COO]- 252.124131 186.9
[M+Na-2H]- 214.084946 147.4
[M]+ 193.10973142 144.2
[M]- 193.11082858 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe