CID 154734798

Cyclohexanol, 4-ethylidene-2-propoxy-

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CCCOC1CC(=CC)CCC1O

InChI

InChI=1S/C11H20O2/c1-3-7-13-11-8-9(4-2)5-6-10(11)12/h4,10-12H,3,5-8H2,1-2H3

InChIKey

BPKHQNOYGCYSNX-UHFFFAOYSA-N

Compound name

4-ethylidene-2-propoxycyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 19
Patents: 184.14633 Da
Monoisotopic Mass: 1.8
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]+	185.153606	143.5
[M+Na]+	207.135548	148.7
[M-H]-	183.139054	145.0
[M+NH4]+	202.180153	163.0
[M+K]+	223.109488	146.6
[M+H-H2O]+	167.143590	138.2
[M+HCOO]-	229.144531	162.2
[M+CH3COO]-	243.160181	180.6
[M+Na-2H]-	205.120996	145.8
[M]+	184.14578142	140.8
[M]-	184.14687858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe