CID 72212984

3-formyl-5-hydroxybenzoic acid

Structural Information

Molecular Formula
C8H6O4
SMILES
C1=C(C=C(C=C1C(=O)O)O)C=O
InChI
InChI=1S/C8H6O4/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-4,10H,(H,11,12)
InChIKey
YBIDDVOKTAHFOE-UHFFFAOYSA-N
Compound name
3-formyl-5-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

166.02661 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03389 129.1
[M+Na]+ 189.01583 138.1
[M-H]- 165.01933 130.9
[M+NH4]+ 184.06043 148.5
[M+K]+ 204.98977 136.1
[M+H-H2O]+ 149.02387 124.2
[M+HCOO]- 211.02481 151.3
[M+CH3COO]- 225.04046 172.7
[M+Na-2H]- 187.00128 134.4
[M]+ 166.02606 129.5
[M]- 166.02716 129.5
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

patents stripe