CID 6443047

(e)-oct-1-en-1-ol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CCCCCC/C=C/O

InChI

InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h7-9H,2-6H2,1H3/b8-7+

InChIKey

MDVPRIBCAFEROC-BQYQJAHWSA-N

Compound name

(E)-oct-1-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4482
Patents: 128.12012 Da
Monoisotopic Mass: 3.9
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]+	129.127396	130.4
[M+Na]+	151.109338	136.7
[M-H]-	127.112844	129.0
[M+NH4]+	146.153943	152.1
[M+K]+	167.083278	135.1
[M+H-H2O]+	111.117380	126.1
[M+HCOO]-	173.118321	152.5
[M+CH3COO]-	187.133971	171.0
[M+Na-2H]-	149.094786	136.0
[M]+	128.11957142	131.2
[M]-	128.12066858	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe