CID 458714

[(2-methylphenyl)amino](oxo)acetic acid

Structural Information

Molecular Formula
C9H9NO3
SMILES
CC1=CC=CC=C1NC(=O)C(=O)O
InChI
InChI=1S/C9H9NO3/c1-6-4-2-3-5-7(6)10-8(11)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey
PORKFZUSLXVORE-UHFFFAOYSA-N
Compound name
2-(2-methylanilino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

179.05824 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 136.0
[M+Na]+ 202.04746 143.2
[M-H]- 178.05096 138.7
[M+NH4]+ 197.09206 155.1
[M+K]+ 218.02140 141.7
[M+H-H2O]+ 162.05550 130.3
[M+HCOO]- 224.05644 159.2
[M+CH3COO]- 238.07209 179.5
[M+Na-2H]- 200.03291 140.8
[M]+ 179.05769 135.1
[M]- 179.05879 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

No patent data available for this compound.