CID 90790

3,7-dimethyloct-7-ene-1,6-diol

Structural Information

Molecular Formula
C10H20O2
SMILES
CC(CCC(C(=C)C)O)CCO
InChI
InChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h9-12H,1,4-7H2,2-3H3
InChIKey
HWNJNAUJFVQJRV-UHFFFAOYSA-N
Compound name
3,7-dimethyloct-7-ene-1,6-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

996
Patents

172.14633 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 143.0
[M+Na]+ 195.13555 150.7
[M+NH4]+ 190.18015 149.2
[M+K]+ 211.10949 146.8
[M-H]- 171.13905 140.5
[M+Na-2H]- 193.12100 143.7
[M]+ 172.14578 142.9
[M]- 172.14688 142.9
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