CID 486165

2-(3,4-dihydroxy-2-methylphenyl)acetic acid

Structural Information

Molecular Formula
C9H10O4
SMILES
CC1=C(C=CC(=C1O)O)CC(=O)O
InChI
InChI=1S/C9H10O4/c1-5-6(4-8(11)12)2-3-7(10)9(5)13/h2-3,10,13H,4H2,1H3,(H,11,12)
InChIKey
DRDKOSLWHVDWCG-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxy-2-methylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0579 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 135.4
[M+Na]+ 205.04712 144.1
[M-H]- 181.05062 135.9
[M+NH4]+ 200.09172 153.8
[M+K]+ 221.02106 141.7
[M+H-H2O]+ 165.05516 130.7
[M+HCOO]- 227.05610 155.5
[M+CH3COO]- 241.07175 175.5
[M+Na-2H]- 203.03257 138.8
[M]+ 182.05735 135.3
[M]- 182.05845 135.3
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

No patent data available for this compound.