CID 162479

3,7-dimethylocten-2-ol

Structural Information

Molecular Formula
C10H20O
SMILES
CC(C)CCCC(C)C(=C)O
InChI
InChI=1S/C10H20O/c1-8(2)6-5-7-9(3)10(4)11/h8-9,11H,4-7H2,1-3H3
InChIKey
WZRRRLLETLZJGO-UHFFFAOYSA-N
Compound name
3,7-dimethyloct-1-en-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

9
Patents

156.15141 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 140.3
[M+Na]+ 179.14063 145.1
[M-H]- 155.14413 138.8
[M+NH4]+ 174.18523 160.7
[M+K]+ 195.11457 144.2
[M+H-H2O]+ 139.14867 135.8
[M+HCOO]- 201.14961 158.7
[M+CH3COO]- 215.16526 180.3
[M+Na-2H]- 177.12608 140.9
[M]+ 156.15086 139.9
[M]- 156.15196 139.9
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