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]+ 127.11174 129.0
[M+Na]+ 149.09368 135.7
[M-H]- 125.09718 127.7
[M+NH4]+ 144.13828 150.8
[M+K]+ 165.06762 133.4
[M+H-H2O]+ 109.10172 124.8
[M+HCOO]- 171.10266 151.3
[M+CH3COO]- 185.11831 169.4
[M+Na-2H]- 147.07913 134.6
[M]+ 126.10391 129.0
[M]- 126.10501 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.