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]+ 169.158686 142.3
[M+Na]+ 191.140628 148.1
[M-H]- 167.144134 140.9
[M+NH4]+ 186.185233 162.5
[M+K]+ 207.114568 145.7
[M+H-H2O]+ 151.148670 138.3
[M+HCOO]- 213.149611 161.2
[M+CH3COO]- 227.165261 180.2
[M+Na-2H]- 189.126076 145.8
[M]+ 168.15086142 142.5
[M]- 168.15195858 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.