CID 13979358

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

166.06299 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 133.4
[M+Na]+ 189.05221 145.3
[M+NH4]+ 184.09681 140.8
[M+K]+ 205.02615 140.5
[M-H]- 165.05571 133.9
[M+Na-2H]- 187.03766 138.7
[M]+ 166.06244 135.0
[M]- 166.06354 135.0
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