CID 21159437

(3r,5z)-5-octene-1,3-diol

Structural Information

Molecular Formula
C8H16O2
SMILES
CC/C=C\CC(CCO)O
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-8(10)6-7-9/h3-4,8-10H,2,5-7H2,1H3/b4-3-
InChIKey
QTHIKVMVWXLPKQ-ARJAWSKDSA-N
Compound name
(Z)-oct-5-ene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

144.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 134.9
[M+Na]+ 167.10426 140.5
[M-H]- 143.10776 132.0
[M+NH4]+ 162.14886 155.1
[M+K]+ 183.07820 138.7
[M+H-H2O]+ 127.11230 130.5
[M+HCOO]- 189.11324 154.7
[M+CH3COO]- 203.12889 171.1
[M+Na-2H]- 165.08971 138.5
[M]+ 144.11449 134.5
[M]- 144.11559 134.5
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

patents stripe