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]+ 228.05026 142.9
[M+Na]+ 250.03220 149.3
[M-H]- 226.03570 144.3
[M+NH4]+ 245.07680 158.6
[M+K]+ 266.00614 144.5
[M+H-H2O]+ 210.04024 141.8
[M+HCOO]- 272.04118 164.6
[M+CH3COO]- 286.05683 178.4
[M+Na-2H]- 248.01765 147.7
[M]+ 227.04243 142.3
[M]- 227.04353 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.