CID 98105

5558-04-3

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

CC(C1CC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C11H14O/c1-11(12,10-7-8-10)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3

InChIKey

ODESSVLMCLJHHD-UHFFFAOYSA-N

Compound name

1-cyclopropyl-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 162.10446 Da
Monoisotopic Mass: 2.0
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]+	163.111736	132.0
[M+Na]+	185.093678	140.5
[M-H]-	161.097184	138.4
[M+NH4]+	180.138283	147.4
[M+K]+	201.067618	137.7
[M+H-H2O]+	145.101720	126.3
[M+HCOO]-	207.102661	153.9
[M+CH3COO]-	221.118311	179.2
[M+Na-2H]-	183.079126	140.1
[M]+	162.10391142	133.0
[M]-	162.10500858	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe