CID 306238

54057-66-8

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CNC(=O)NC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C9H10N2O3/c1-10-9(14)11-7-4-2-6(3-5-7)8(12)13/h2-5H,1H3,(H,12,13)(H2,10,11,14)
InChIKey
WSOMAKYZWNPMKC-UHFFFAOYSA-N
Compound name
4-(methylcarbamoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

37
Patents

194.06914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 140.1
[M+Na]+ 217.05836 146.3
[M-H]- 193.06186 142.7
[M+NH4]+ 212.10296 158.1
[M+K]+ 233.03230 144.8
[M+H-H2O]+ 177.06640 133.8
[M+HCOO]- 239.06734 164.3
[M+CH3COO]- 253.08299 184.7
[M+Na-2H]- 215.04381 145.1
[M]+ 194.06859 138.4
[M]- 194.06969 138.4
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