CID 2404867

(3-methyl-4-nitro-benzoylamino)-acetic acid

Structural Information

Molecular Formula
C10H10N2O5
SMILES
CC1=C(C=CC(=C1)C(=O)NCC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O5/c1-6-4-7(2-3-8(6)12(16)17)10(15)11-5-9(13)14/h2-4H,5H2,1H3,(H,11,15)(H,13,14)
InChIKey
MQWUJWRMCMDPTG-UHFFFAOYSA-N
Compound name
2-[(3-methyl-4-nitrobenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06626 148.5
[M+Na]+ 261.04820 158.7
[M+NH4]+ 256.09280 153.9
[M+K]+ 277.02214 158.1
[M-H]- 237.05170 149.6
[M+Na-2H]- 259.03365 152.1
[M]+ 238.05843 149.7
[M]- 238.05953 149.7
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.