CID 32012

23578-51-0

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C=CCCCC=CCO

InChI

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

InChIKey

YHYGSIBXYYKYFB-UHFFFAOYSA-N

Compound name

octa-2,7-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1037
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	128.7
[M+Na]+	149.093678	135.4
[M-H]-	125.097184	127.4
[M+NH4]+	144.138283	150.5
[M+K]+	165.067618	133.1
[M+H-H2O]+	109.101720	124.5
[M+HCOO]-	171.102661	151.1
[M+CH3COO]-	185.118311	170.1
[M+Na-2H]-	147.079126	134.4
[M]+	126.10391142	128.9
[M]-	126.10500858	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe