CID 3362155

[(3-methylphenyl)carbamoyl]formic acid

Structural Information

Molecular Formula
C9H9NO3
SMILES
CC1=CC(=CC=C1)NC(=O)C(=O)O
InChI
InChI=1S/C9H9NO3/c1-6-3-2-4-7(5-6)10-8(11)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey
HYFAJKPUCQPCAZ-UHFFFAOYSA-N
Compound name
2-(3-methylanilino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

179.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 136.0
[M+Na]+ 202.047458 143.2
[M-H]- 178.050964 138.7
[M+NH4]+ 197.092063 155.1
[M+K]+ 218.021398 141.7
[M+H-H2O]+ 162.055500 130.3
[M+HCOO]- 224.056441 159.2
[M+CH3COO]- 238.072091 179.5
[M+Na-2H]- 200.032906 140.8
[M]+ 179.05769142 135.1
[M]- 179.05878858 135.1
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