CID 69117

3-formyl-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C8H6O4
SMILES
C1=CC(=C(C(=C1)C(=O)O)O)C=O
InChI
InChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12)
InChIKey
YOEUNKPREOJHBW-UHFFFAOYSA-N
Compound name
3-formyl-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

268
Patents

166.02661 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03389 131.2
[M+Na]+ 189.01583 142.9
[M+NH4]+ 184.06043 137.9
[M+K]+ 204.98977 138.8
[M-H]- 165.01933 131.0
[M+Na-2H]- 187.00128 136.2
[M]+ 166.02606 132.5
[M]- 166.02716 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe