CID 117285

6-methyl citronellol

Structural Information

Molecular Formula
C11H22O
SMILES
CC(CCC(=C(C)C)C)CCO
InChI
InChI=1S/C11H22O/c1-9(2)11(4)6-5-10(3)7-8-12/h10,12H,5-8H2,1-4H3
InChIKey
GRAHDMHJZMMOHO-UHFFFAOYSA-N
Compound name
3,6,7-trimethyloct-6-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

170.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 145.2
[M+Na]+ 193.156288 149.7
[M-H]- 169.159794 143.5
[M+NH4]+ 188.200893 165.1
[M+K]+ 209.130228 148.5
[M+H-H2O]+ 153.164330 140.5
[M+HCOO]- 215.165271 163.3
[M+CH3COO]- 229.180921 182.6
[M+Na-2H]- 191.141736 145.3
[M]+ 170.16652142 145.1
[M]- 170.16761858 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

literature stripe

Patent stripe

patents stripe