CID 98287

6552-46-1

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

CC1=CC=C(C=C1)C(C2CC2)O

InChI

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

InChIKey

MRBYWQHXPYOYEW-UHFFFAOYSA-N

Compound name

cyclopropyl-(4-methylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
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	131.3
[M+Na]+	185.093678	140.1
[M-H]-	161.097184	137.8
[M+NH4]+	180.138283	146.8
[M+K]+	201.067618	137.1
[M+H-H2O]+	145.101720	125.3
[M+HCOO]-	207.102661	153.7
[M+CH3COO]-	221.118311	180.7
[M+Na-2H]-	183.079126	137.0
[M]+	162.10391142	132.5
[M]-	162.10500858	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe