CID 89873

22871-56-3

Structural Information

Molecular Formula
C10H10N2O6
SMILES
C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)NCCO
InChI
InChI=1S/C10H10N2O6/c13-2-1-11-9(14)6-3-7(10(15)16)5-8(4-6)12(17)18/h3-5,13H,1-2H2,(H,11,14)(H,15,16)
InChIKey
CPXQPGXUDGWVSK-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethylcarbamoyl)-5-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.05388 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06116 151.4
[M+Na]+ 277.04310 160.5
[M+NH4]+ 272.08770 155.8
[M+K]+ 293.01704 160.8
[M-H]- 253.04660 151.4
[M+Na-2H]- 275.02855 153.9
[M]+ 254.05333 152.0
[M]- 254.05443 152.0
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

No patent data available for this compound.