CID 12731941

Ethyl n-(4-aminophenyl)carbamate

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CCOC(=O)NC1=CC=C(C=C1)N
InChI
InChI=1S/C9H12N2O2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H,11,12)
InChIKey
SABZQUOBNXDLDV-UHFFFAOYSA-N
Compound name
ethyl N-(4-aminophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

180.08987 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 138.0
[M+Na]+ 203.079088 144.7
[M-H]- 179.082594 141.4
[M+NH4]+ 198.123693 157.3
[M+K]+ 219.053028 143.3
[M+H-H2O]+ 163.087130 131.6
[M+HCOO]- 225.088071 163.7
[M+CH3COO]- 239.103721 184.3
[M+Na-2H]- 201.064536 143.7
[M]+ 180.08932142 137.1
[M]- 180.09041858 137.1
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