CID 80938

6465-03-8

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

142
Patents

166.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.4
[M+Na]+ 189.06345 140.5
[M-H]- 165.06695 137.0
[M+NH4]+ 184.10805 153.3
[M+K]+ 205.03739 139.4
[M+H-H2O]+ 149.07149 127.2
[M+HCOO]- 211.07243 159.4
[M+CH3COO]- 225.08808 181.3
[M+Na-2H]- 187.04890 139.6
[M]+ 166.07368 132.1
[M]- 166.07478 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