CID 28894597

Methyl n-(4-aminophenyl)-n-methylcarbamate

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CN(C1=CC=C(C=C1)N)C(=O)OC
InChI
InChI=1S/C9H12N2O2/c1-11(9(12)13-2)8-5-3-7(10)4-6-8/h3-6H,10H2,1-2H3
InChIKey
ZKGGELKXEUSJSA-UHFFFAOYSA-N
Compound name
methyl N-(4-aminophenyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

180.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.2
[M+Na]+ 203.07909 145.0
[M-H]- 179.08259 143.1
[M+NH4]+ 198.12369 158.1
[M+K]+ 219.05303 145.1
[M+H-H2O]+ 163.08713 131.6
[M+HCOO]- 225.08807 164.4
[M+CH3COO]- 239.10372 187.8
[M+Na-2H]- 201.06454 143.1
[M]+ 180.08932 138.5
[M]- 180.09042 138.5
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