CID 80938

Methyl n-(4-aminophenyl)carbamate

Structural Information

Molecular Formula
C8H10N2O2
SMILES
COC(=O)NC1=CC=C(C=C1)N
InChI
InChI=1S/C8H10N2O2/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)
InChIKey
UFDGMXHPQNDESO-UHFFFAOYSA-N
Compound name
methyl N-(4-aminophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

180
Patents

166.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 133.4
[M+Na]+ 189.063448 140.5
[M-H]- 165.066954 137.0
[M+NH4]+ 184.108053 153.3
[M+K]+ 205.037388 139.4
[M+H-H2O]+ 149.071490 127.2
[M+HCOO]- 211.072431 159.4
[M+CH3COO]- 225.088081 181.3
[M+Na-2H]- 187.048896 139.6
[M]+ 166.07368142 132.1
[M]- 166.07477858 132.1
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