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

53
Patents

180.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 138.2
[M+Na]+ 203.079088 145.0
[M-H]- 179.082594 143.1
[M+NH4]+ 198.123693 158.1
[M+K]+ 219.053028 145.1
[M+H-H2O]+ 163.087130 131.6
[M+HCOO]- 225.088071 164.4
[M+CH3COO]- 239.103721 187.8
[M+Na-2H]- 201.064536 143.1
[M]+ 180.08932142 138.5
[M]- 180.09041858 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