CID 736228

2,4-dihydroxy-3,6-dimethylbenzoic acid

Structural Information

Molecular Formula
C9H10O4
SMILES
CC1=CC(=C(C(=C1C(=O)O)O)C)O
InChI
InChI=1S/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13)
InChIKey
VHNLJRRECIZZPX-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-3,6-dimethylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

248
Patents

182.0579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 136.4
[M+Na]+ 205.04712 148.1
[M+NH4]+ 200.09172 142.9
[M+K]+ 221.02106 144.6
[M-H]- 181.05062 136.0
[M+Na-2H]- 203.03257 140.2
[M]+ 182.05735 137.7
[M]- 182.05845 137.7
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