CID 205986

1,5-octadien-3-ol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CCC=CCC(C=C)O

InChI

InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3

InChIKey

APFBWMGEGSELQP-UHFFFAOYSA-N

Compound name

octa-1,5-dien-3-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 4
References: 315
Patents: 126.10446 Da
Monoisotopic Mass: 2.0
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	129.2
[M+Na]+	149.093678	135.7
[M-H]-	125.097184	128.0
[M+NH4]+	144.138283	150.9
[M+K]+	165.067618	133.8
[M+H-H2O]+	109.101720	125.1
[M+HCOO]-	171.102661	150.6
[M+CH3COO]-	185.118311	170.9
[M+Na-2H]-	147.079126	133.6
[M]+	126.10391142	128.7
[M]-	126.10500858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe