CID 135741013

90564-43-5

Structural Information

Molecular Formula
C9H9NO6
SMILES
COC1=C(C=C(C=C1)C(C(=O)O)O)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO6/c1-16-7-3-2-5(8(11)9(12)13)4-6(7)10(14)15/h2-4,8,11H,1H3,(H,12,13)
InChIKey
RZIILNICTQZTPJ-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(4-methoxy-3-nitrophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.04298 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.050256 142.9
[M+Na]+ 250.032198 149.3
[M-H]- 226.035704 144.3
[M+NH4]+ 245.076803 158.6
[M+K]+ 266.006138 144.5
[M+H-H2O]+ 210.040240 141.8
[M+HCOO]- 272.041181 164.6
[M+CH3COO]- 286.056831 178.4
[M+Na-2H]- 248.017646 147.7
[M]+ 227.04243142 142.3
[M]- 227.04352858 142.3
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.