CID 209682

Brn 2976003

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC1=C(C=CC(=C1)OC(=O)N(C)C(=O)C)N
InChI
InChI=1S/C11H14N2O3/c1-7-6-9(4-5-10(7)12)16-11(15)13(3)8(2)14/h4-6H,12H2,1-3H3
InChIKey
ABSCIRILJRKXDO-UHFFFAOYSA-N
Compound name
(4-amino-3-methylphenyl) N-acetyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 149.0
[M+Na]+ 245.089668 156.0
[M-H]- 221.093174 154.1
[M+NH4]+ 240.134273 167.5
[M+K]+ 261.063608 156.1
[M+H-H2O]+ 205.097710 142.3
[M+HCOO]- 267.098651 174.0
[M+CH3COO]- 281.114301 196.6
[M+Na-2H]- 243.075116 151.0
[M]+ 222.09990142 150.6
[M]- 222.10099858 150.6
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

No patent data available for this compound.