CID 2404867

124924-36-3

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 147.3
[M+Na]+ 261.04820 153.3
[M-H]- 237.05170 149.9
[M+NH4]+ 256.09280 162.9
[M+K]+ 277.02214 147.9
[M+H-H2O]+ 221.05624 145.6
[M+HCOO]- 283.05718 171.2
[M+CH3COO]- 297.07283 185.1
[M+Na-2H]- 259.03365 152.3
[M]+ 238.05843 145.9
[M]- 238.05953 145.9
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.