CID 92468132

(2z,5e)-octa-2,5-dien-1-ol

Structural Information

Molecular Formula
C8H14O
SMILES
CC/C=C/C/C=C\CO
InChI
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-4,6-7,9H,2,5,8H2,1H3/b4-3+,7-6-
InChIKey
INXWZSVGTHMNEU-FDTUMDBZSA-N
Compound name
(2Z,5E)-octa-2,5-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.