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]+ 192.02913 139.2
[M+Na]+ 214.01107 150.3
[M-H]- 190.01457 141.0
[M+NH4]+ 209.05567 155.8
[M+K]+ 229.98501 147.5
[M+H-H2O]+ 174.01911 127.8
[M+HCOO]- 236.02005 157.6
[M+CH3COO]- 250.03570 190.9
[M+Na-2H]- 211.99652 142.7
[M]+ 191.02130 135.0
[M]- 191.02240 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.