CID 59164020

Octa-3,5-dien-1-ol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC/C=C/C=C\CCO

InChI

InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-6,9H,2,7-8H2,1H3/b4-3+,6-5-

InChIKey

ZVVFQUSSYQVVJC-ICWBMWKASA-N

Compound name

(3Z,5E)-octa-3,5-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 18
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	129.0
[M+Na]+	149.093678	135.7
[M-H]-	125.097184	127.7
[M+NH4]+	144.138283	150.8
[M+K]+	165.067618	133.4
[M+H-H2O]+	109.101720	124.8
[M+HCOO]-	171.102661	151.3
[M+CH3COO]-	185.118311	169.4
[M+Na-2H]-	147.079126	134.6
[M]+	126.10391142	129.0
[M]-	126.10500858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe