CID 130775265

3-cyano-5-formyl-4-hydroxybenzoic acid

Structural Information

Molecular Formula
C9H5NO4
SMILES
C1=C(C=C(C(=C1C=O)O)C#N)C(=O)O
InChI
InChI=1S/C9H5NO4/c10-3-6-1-5(9(13)14)2-7(4-11)8(6)12/h1-2,4,12H,(H,13,14)
InChIKey
VAPRUYINYYVEJE-UHFFFAOYSA-N
Compound name
3-cyano-5-formyl-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.02185 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.029126 139.2
[M+Na]+ 214.011068 150.3
[M-H]- 190.014574 141.0
[M+NH4]+ 209.055673 155.8
[M+K]+ 229.985008 147.5
[M+H-H2O]+ 174.019110 127.8
[M+HCOO]- 236.020051 157.6
[M+CH3COO]- 250.035701 190.9
[M+Na-2H]- 211.996516 142.7
[M]+ 191.02130142 135.0
[M]- 191.02239858 135.0
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.