CID 117306

6-ethyl-3-methyloct-6-en-1-ol

Structural Information

Molecular Formula
C11H22O
SMILES
CCC(=CC)CCC(C)CCO
InChI
InChI=1S/C11H22O/c1-4-11(5-2)7-6-10(3)8-9-12/h4,10,12H,5-9H2,1-3H3
InChIKey
GTLKSTALFRGBQG-UHFFFAOYSA-N
Compound name
6-ethyl-3-methyloct-6-en-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

422
Patents

170.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 145.1
[M+Na]+ 193.156288 149.8
[M-H]- 169.159794 143.4
[M+NH4]+ 188.200893 165.1
[M+K]+ 209.130228 148.2
[M+H-H2O]+ 153.164330 140.4
[M+HCOO]- 215.165271 164.3
[M+CH3COO]- 229.180921 181.7
[M+Na-2H]- 191.141736 146.5
[M]+ 170.16652142 145.7
[M]- 170.16761858 145.7
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