CID 79980268

2-(4-cyclopropylphenyl)-2-hydroxyacetic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CC1C2=CC=C(C=C2)C(C(=O)O)O
InChI
InChI=1S/C11H12O3/c12-10(11(13)14)9-5-3-8(4-6-9)7-1-2-7/h3-7,10,12H,1-2H2,(H,13,14)
InChIKey
UAINOSNYFXMBQO-UHFFFAOYSA-N
Compound name
2-(4-cyclopropylphenyl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 136.5
[M+Na]+ 215.06786 144.7
[M-H]- 191.07136 141.7
[M+NH4]+ 210.11246 149.8
[M+K]+ 231.04180 141.4
[M+H-H2O]+ 175.07590 130.6
[M+HCOO]- 237.07684 157.0
[M+CH3COO]- 251.09249 182.2
[M+Na-2H]- 213.05331 140.5
[M]+ 192.07809 137.6
[M]- 192.07919 137.6
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.