CID 13341963

Methyl 4-amino-3-carbamoylbenzoate

Structural Information

Molecular Formula
C9H10N2O3
SMILES
COC(=O)C1=CC(=C(C=C1)N)C(=O)N
InChI
InChI=1S/C9H10N2O3/c1-14-9(13)5-2-3-7(10)6(4-5)8(11)12/h2-4H,10H2,1H3,(H2,11,12)
InChIKey
MCQOVGJGDSIYRI-UHFFFAOYSA-N
Compound name
methyl 4-amino-3-carbamoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

194.06914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 140.2
[M+Na]+ 217.05836 147.7
[M-H]- 193.06186 143.5
[M+NH4]+ 212.10296 158.6
[M+K]+ 233.03230 146.4
[M+H-H2O]+ 177.06640 133.9
[M+HCOO]- 239.06734 164.6
[M+CH3COO]- 253.08299 187.9
[M+Na-2H]- 215.04381 142.8
[M]+ 194.06859 138.8
[M]- 194.06969 138.8
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