CID 85905

15766-66-2

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CC1=CCC(CC1)C(=C)CCO

InChI

InChI=1S/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,11-12H,2,4-8H2,1H3

InChIKey

KGQKYMFFMFUSOZ-UHFFFAOYSA-N

Compound name

3-(4-methylcyclohex-3-en-1-yl)but-3-en-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 21
Patents: 166.13577 Da
Monoisotopic Mass: 2.6
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]+	167.143046	139.0
[M+Na]+	189.124988	144.1
[M-H]-	165.128494	140.6
[M+NH4]+	184.169593	159.0
[M+K]+	205.098928	141.6
[M+H-H2O]+	149.133030	133.8
[M+HCOO]-	211.133971	157.9
[M+CH3COO]-	225.149621	178.6
[M+Na-2H]-	187.110436	141.8
[M]+	166.13522142	135.4
[M]-	166.13631858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe