CID 820261

2-(3-hydroxy-4-methylphenyl)acetic acid

Structural Information

Molecular Formula
C9H10O3
SMILES
CC1=C(C=C(C=C1)CC(=O)O)O
InChI
InChI=1S/C9H10O3/c1-6-2-3-7(4-8(6)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKey
JVWHEFWNYRUQMG-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-4-methylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

166.06299 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 132.3
[M+Na]+ 189.05221 140.7
[M-H]- 165.05571 134.0
[M+NH4]+ 184.09681 151.9
[M+K]+ 205.02615 138.5
[M+H-H2O]+ 149.06025 127.5
[M+HCOO]- 211.06119 153.8
[M+CH3COO]- 225.07684 174.5
[M+Na-2H]- 187.03766 137.0
[M]+ 166.06244 132.3
[M]- 166.06354 132.3
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

patents stripe