CID 13226630

3,8-dimethylnona-1,7-dien-3-ol

Structural Information

Molecular Formula
C11H20O
SMILES
CC(=CCCCC(C)(C=C)O)C
InChI
InChI=1S/C11H20O/c1-5-11(4,12)9-7-6-8-10(2)3/h5,8,12H,1,6-7,9H2,2-4H3
InChIKey
HVIRGTMLSPMISG-UHFFFAOYSA-N
Compound name
3,8-dimethylnona-1,7-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

168.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 142.3
[M+Na]+ 191.14063 148.1
[M-H]- 167.14413 140.9
[M+NH4]+ 186.18523 162.5
[M+K]+ 207.11457 145.7
[M+H-H2O]+ 151.14867 138.3
[M+HCOO]- 213.14961 161.2
[M+CH3COO]- 227.16526 180.2
[M+Na-2H]- 189.12608 145.8
[M]+ 168.15086 142.5
[M]- 168.15196 142.5
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

No patent data available for this compound.