CID 66934567

3-cyclooctene-1-methanol, alpha-ethyl-

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CCC(C1CCCC/C=C\C1)O

InChI

InChI=1S/C11H20O/c1-2-11(12)10-8-6-4-3-5-7-9-10/h4,6,10-12H,2-3,5,7-9H2,1H3/b6-4-

InChIKey

LLYJRIQMURUPPF-XQRVVYSFSA-N

Compound name

1-[(3Z)-cyclooct-3-en-1-yl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 79
Patents: 168.15141 Da
Monoisotopic Mass: 3.4
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]+	169.158686	145.7
[M+Na]+	191.140628	149.2
[M-H]-	167.144134	146.6
[M+NH4]+	186.185233	154.6
[M+K]+	207.114568	149.6
[M+H-H2O]+	151.148670	142.4
[M+HCOO]-	213.149611	154.0
[M+CH3COO]-	227.165261	220.0
[M+Na-2H]-	189.126076	145.7
[M]+	168.15086142	143.7
[M]-	168.15195858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe