CID 7792

3,7-dimethyloctan-1-ol

Structural Information

Molecular Formula
C10H22O
SMILES
CC(C)CCCC(C)CCO
InChI
InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3
InChIKey
PRNCMAKCNVRZFX-UHFFFAOYSA-N
Compound name
3,7-dimethyloctan-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

17
References

11228
Patents

158.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.17435 140.0
[M+Na]+ 181.15629 149.1
[M+NH4]+ 176.20089 147.6
[M+K]+ 197.13023 143.6
[M-H]- 157.15979 139.1
[M+Na-2H]- 179.14174 142.3
[M]+ 158.16652 140.8
[M]- 158.16762 140.8
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