CID 550792

2,3,6-trimethylhept-6-en-1-ol

Structural Information

Molecular Formula
C10H20O
SMILES
CC(CCC(=C)C)C(C)CO
InChI
InChI=1S/C10H20O/c1-8(2)5-6-9(3)10(4)7-11/h9-11H,1,5-7H2,2-4H3
InChIKey
ZIMJLDKGWMVWFU-UHFFFAOYSA-N
Compound name
2,3,6-trimethylhept-6-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 140.3
[M+Na]+ 179.140628 145.1
[M-H]- 155.144134 138.8
[M+NH4]+ 174.185233 160.7
[M+K]+ 195.114568 144.2
[M+H-H2O]+ 139.148670 135.8
[M+HCOO]- 201.149611 158.7
[M+CH3COO]- 215.165261 180.3
[M+Na-2H]- 177.126076 140.9
[M]+ 156.15086142 139.9
[M]- 156.15195858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.