CID 85677

3,7-dimethyloct-6-en-2-ol

Structural Information

Molecular Formula
C10H20O
SMILES
CC(CCC=C(C)C)C(C)O
InChI
InChI=1S/C10H20O/c1-8(2)6-5-7-9(3)10(4)11/h6,9-11H,5,7H2,1-4H3
InChIKey
UWTUMIHLGMOBPC-UHFFFAOYSA-N
Compound name
3,7-dimethyloct-6-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

156.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 140.5
[M+Na]+ 179.14063 145.4
[M-H]- 155.14413 139.0
[M+NH4]+ 174.18523 160.9
[M+K]+ 195.11457 144.5
[M+H-H2O]+ 139.14867 136.0
[M+HCOO]- 201.14961 158.9
[M+CH3COO]- 215.16526 179.6
[M+Na-2H]- 177.12608 141.1
[M]+ 156.15086 140.1
[M]- 156.15196 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe