CID 74741

1-vinylcyclohexanol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C=CC1(CCCCC1)O

InChI

InChI=1S/C8H14O/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2

InChIKey

ZXKHOVDDJMJXQP-UHFFFAOYSA-N

Compound name

1-ethenylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1264
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	127.6
[M+Na]+	149.093678	133.1
[M-H]-	125.097184	129.4
[M+NH4]+	144.138283	150.9
[M+K]+	165.067618	131.5
[M+H-H2O]+	109.101720	123.5
[M+HCOO]-	171.102661	147.1
[M+CH3COO]-	185.118311	167.4
[M+Na-2H]-	147.079126	134.0
[M]+	126.10391142	122.0
[M]-	126.10500858	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe