CID 2305480

[(4-methylphenyl)carbamoyl]formic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

179.05824 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe