CID 13026931

3-formyl-2-hydroxy-5-methylbenzoic acid

Structural Information

Molecular Formula
C9H8O4
SMILES
CC1=CC(=C(C(=C1)C(=O)O)O)C=O
InChI
InChI=1S/C9H8O4/c1-5-2-6(4-10)8(11)7(3-5)9(12)13/h2-4,11H,1H3,(H,12,13)
InChIKey
CNLMEVZLTPWXQO-UHFFFAOYSA-N
Compound name
3-formyl-2-hydroxy-5-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

180.04225 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04953 135.3
[M+Na]+ 203.03147 147.2
[M+NH4]+ 198.07607 141.9
[M+K]+ 219.00541 143.1
[M-H]- 179.03497 135.1
[M+Na-2H]- 201.01692 139.8
[M]+ 180.04170 136.7
[M]- 180.04280 136.7
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