CID 86534

Dtxsid30938180

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC(C1CCCC=C1)O

InChI

InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h3,5,7-9H,2,4,6H2,1H3

InChIKey

FRVOBIGHGFLOGN-UHFFFAOYSA-N

Compound name

1-cyclohex-2-en-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 126.10446 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]+	127.111736	127.3
[M+Na]+	149.093678	132.4
[M-H]-	125.097184	129.0
[M+NH4]+	144.138283	148.6
[M+K]+	165.067618	131.3
[M+H-H2O]+	109.101720	122.3
[M+HCOO]-	171.102661	147.1
[M+CH3COO]-	185.118311	169.2
[M+Na-2H]-	147.079126	132.4
[M]+	126.10391142	122.9
[M]-	126.10500858	122.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe