CID 78436

2,4-dihydroxy-3-methylbenzoic acid

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

195
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

literature stripe

Patent stripe

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