CID 40923

7-octen-4-ol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CCCC(CCC=C)O

InChI

InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3,8-9H,1,4-7H2,2H3

InChIKey

MJWKMORBWQZWOT-UHFFFAOYSA-N

Compound name

oct-7-en-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 128.12012 Da
Monoisotopic Mass: 2.3
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]+	129.12740	130.0
[M+Na]+	151.10934	139.9
[M+NH4]+	146.15394	137.8
[M+K]+	167.08328	134.0
[M-H]-	127.11284	129.2
[M+Na-2H]-	149.09479	133.2
[M]+	128.11957	131.0
[M]-	128.12067	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe