CID 18827

1-octen-3-ol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CCCCCC(C=C)O

InChI

InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3

InChIKey

VSMOENVRRABVKN-UHFFFAOYSA-N

Compound name

oct-1-en-3-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 441
References: 11044
Patents: 128.12012 Da
Monoisotopic Mass: 2.6
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	130.7
[M+Na]+	151.10934	136.8
[M-H]-	127.11284	129.4
[M+NH4]+	146.15394	152.3
[M+K]+	167.08328	135.5
[M+H-H2O]+	111.11738	126.4
[M+HCOO]-	173.11832	151.8
[M+CH3COO]-	187.13397	172.5
[M+Na-2H]-	149.09479	135.0
[M]+	128.11957	130.9
[M]-	128.12067	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe