CID 15093

1460-46-4

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

C1CC1C(C2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C11H12O3/c12-10(13)11(14,9-6-7-9)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,12,13)

InChIKey

APPYFFBRMGXDFO-UHFFFAOYSA-N

Compound name

2-cyclopropyl-2-hydroxy-2-phenylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 192.07864 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.085916	137.1
[M+Na]+	215.067858	145.1
[M-H]-	191.071364	142.1
[M+NH4]+	210.112463	150.3
[M+K]+	231.041798	141.8
[M+H-H2O]+	175.075900	131.6
[M+HCOO]-	237.076841	157.0
[M+CH3COO]-	251.092491	180.6
[M+Na-2H]-	213.053306	143.7
[M]+	192.07809142	137.9
[M]-	192.07918858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe