CID 10607081

176019-54-8

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

C[C@]1(C[C@H]1C2=CC=CC=C2)CO

InChI

InChI=1S/C11H14O/c1-11(8-12)7-10(11)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3/t10-,11-/m0/s1

InChIKey

YJTZNEKUPCCLIO-QWRGUYRKSA-N

Compound name

[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.10446 Da
Monoisotopic Mass: 2.1
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	132.9
[M+Na]+	185.093678	142.6
[M-H]-	161.097184	139.7
[M+NH4]+	180.138283	150.3
[M+K]+	201.067618	140.2
[M+H-H2O]+	145.101720	127.7
[M+HCOO]-	207.102661	155.9
[M+CH3COO]-	221.118311	179.5
[M+Na-2H]-	183.079126	140.6
[M]+	162.10391142	135.1
[M]-	162.10500858	135.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.