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 143.9
[M+Na]+ 250.03220 154.5
[M+NH4]+ 245.07680 149.3
[M+K]+ 266.00614 154.7
[M-H]- 226.03570 144.0
[M+Na-2H]- 248.01765 147.2
[M]+ 227.04243 144.9
[M]- 227.04353 144.9
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.