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]+ 239.066256 147.3
[M+Na]+ 261.048198 153.3
[M-H]- 237.051704 149.9
[M+NH4]+ 256.092803 162.9
[M+K]+ 277.022138 147.9
[M+H-H2O]+ 221.056240 145.6
[M+HCOO]- 283.057181 171.2
[M+CH3COO]- 297.072831 185.1
[M+Na-2H]- 259.033646 152.3
[M]+ 238.05843142 145.9
[M]- 238.05952858 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.