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]+ 193.085916 136.5
[M+Na]+ 215.067858 144.7
[M-H]- 191.071364 141.7
[M+NH4]+ 210.112463 149.8
[M+K]+ 231.041798 141.4
[M+H-H2O]+ 175.075900 130.6
[M+HCOO]- 237.076841 157.0
[M+CH3COO]- 251.092491 182.2
[M+Na-2H]- 213.053306 140.5
[M]+ 192.07809142 137.6
[M]- 192.07918858 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.