CID 117305

6-ethyl-3-methyloct-5-en-1-ol

Structural Information

Molecular Formula
C11H22O
SMILES
CCC(=CCC(C)CCO)CC
InChI
InChI=1S/C11H22O/c1-4-11(5-2)7-6-10(3)8-9-12/h7,10,12H,4-6,8-9H2,1-3H3
InChIKey
XSFCJNDQFKISFC-UHFFFAOYSA-N
Compound name
6-ethyl-3-methyloct-5-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

179
Patents

170.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 145.1
[M+Na]+ 193.15629 149.8
[M-H]- 169.15979 143.4
[M+NH4]+ 188.20089 165.1
[M+K]+ 209.13023 148.2
[M+H-H2O]+ 153.16433 140.4
[M+HCOO]- 215.16527 164.3
[M+CH3COO]- 229.18092 181.7
[M+Na-2H]- 191.14174 146.5
[M]+ 170.16652 145.7
[M]- 170.16762 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

No literature data available for this compound.

Patent stripe

patents stripe