CID 169818

2,6-dimethylhept-6-en-1-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC(CCCC(=C)C)CO
InChI
InChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10/h9-10H,1,4-7H2,2-3H3
InChIKey
GUIBQTSZYLPXBH-UHFFFAOYSA-N
Compound name
2,6-dimethylhept-6-en-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

75
Patents

142.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 135.6
[M+Na]+ 165.124988 141.1
[M-H]- 141.128494 134.2
[M+NH4]+ 160.169593 156.6
[M+K]+ 181.098928 139.9
[M+H-H2O]+ 125.133030 131.2
[M+HCOO]- 187.133971 155.4
[M+CH3COO]- 201.149621 176.4
[M+Na-2H]- 163.110436 138.1
[M]+ 142.13522142 135.5
[M]- 142.13631858 135.5
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

patents stripe