CID 10487203

Rac-2-[(1r,2s)-2-phenylcyclopropyl]ethan-1-ol

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

C1[C@H]([C@@H]1C2=CC=CC=C2)CCO

InChI

InChI=1S/C11H14O/c12-7-6-10-8-11(10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11+/m1/s1

InChIKey

IVRVDDJTISEWSZ-MNOVXSKESA-N

Compound name

2-[(1S,2R)-2-phenylcyclopropyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.10446 Da
Monoisotopic Mass: 2.2
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	131.8
[M+Na]+	185.093678	140.8
[M-H]-	161.097184	138.2
[M+NH4]+	180.138283	147.3
[M+K]+	201.067618	137.4
[M+H-H2O]+	145.101720	125.6
[M+HCOO]-	207.102661	155.1
[M+CH3COO]-	221.118311	179.9
[M+Na-2H]-	183.079126	138.6
[M]+	162.10391142	133.5
[M]-	162.10500858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe