CID 199705

2,4-dihydroxy-5-methylbenzoic acid

Structural Information

Molecular Formula
C8H8O4
SMILES
CC1=CC(=C(C=C1O)O)C(=O)O
InChI
InChI=1S/C8H8O4/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3,9-10H,1H3,(H,11,12)
InChIKey
YLRJQJWRABXQKQ-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-5-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

168.04225 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 132.2
[M+Na]+ 191.03147 143.7
[M+NH4]+ 186.07607 138.8
[M+K]+ 207.00541 140.2
[M-H]- 167.03497 131.7
[M+Na-2H]- 189.01692 136.4
[M]+ 168.04170 133.4
[M]- 168.04280 133.4
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