CID 126505187

2,4,7-trimethyloct-6-en-1-ol

Structural Information

Molecular Formula
C11H22O
SMILES
CC(CC=C(C)C)CC(C)CO
InChI
InChI=1S/C11H22O/c1-9(2)5-6-10(3)7-11(4)8-12/h5,10-12H,6-8H2,1-4H3
InChIKey
UHELJNANGXRBDI-UHFFFAOYSA-N
Compound name
2,4,7-trimethyloct-6-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

170.16707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 145.2
[M+Na]+ 193.15629 149.7
[M-H]- 169.15979 143.5
[M+NH4]+ 188.20089 165.1
[M+K]+ 209.13023 148.5
[M+H-H2O]+ 153.16433 140.5
[M+HCOO]- 215.16527 163.3
[M+CH3COO]- 229.18092 182.6
[M+Na-2H]- 191.14174 145.3
[M]+ 170.16652 145.1
[M]- 170.16762 145.1
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