CID 565266

7-octene-1,2-diol

Structural Information

Molecular Formula
C8H16O2
SMILES
C=CCCCCC(CO)O
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-8(10)7-9/h2,8-10H,1,3-7H2
InChIKey
UXGHWJFURBQKCJ-UHFFFAOYSA-N
Compound name
oct-7-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

932
Patents

144.11504 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 134.6
[M+Na]+ 167.104258 140.2
[M-H]- 143.107764 131.8
[M+NH4]+ 162.148863 154.8
[M+K]+ 183.078198 138.4
[M+H-H2O]+ 127.112300 130.2
[M+HCOO]- 189.113241 154.4
[M+CH3COO]- 203.128891 171.8
[M+Na-2H]- 165.089706 138.3
[M]+ 144.11449142 134.4
[M]- 144.11558858 134.4
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