CID 120154

2,6-dimethyloct-7-ene-2,6-diol

Structural Information

Molecular Formula
C10H20O2
SMILES
CC(C)(CCCC(C)(C=C)O)O
InChI
InChI=1S/C10H20O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5,11-12H,1,6-8H2,2-4H3
InChIKey
SRPFYGUVQUDURC-UHFFFAOYSA-N
Compound name
2,6-dimethyloct-7-ene-2,6-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

74
Patents

172.14633 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 142.5
[M+Na]+ 195.13555 148.5
[M-H]- 171.13905 139.9
[M+NH4]+ 190.18015 161.9
[M+K]+ 211.10949 146.5
[M+H-H2O]+ 155.14359 139.2
[M+HCOO]- 217.14453 159.6
[M+CH3COO]- 231.16018 177.7
[M+Na-2H]- 193.12100 148.0
[M]+ 172.14578 142.8
[M]- 172.14688 142.8
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