CID 25185

Ethyl linalool

Structural Information

Molecular Formula
C11H20O
SMILES
CCC(=CCCC(C)(C=C)O)C
InChI
InChI=1S/C11H20O/c1-5-10(3)8-7-9-11(4,12)6-2/h6,8,12H,2,5,7,9H2,1,3-4H3
InChIKey
KRLBLPBPZSSIGH-UHFFFAOYSA-N
Compound name
3,7-dimethylnona-1,6-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

6051
Patents

168.15141 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 142.8
[M+Na]+ 191.14063 151.9
[M+NH4]+ 186.18523 149.7
[M+K]+ 207.11457 146.4
[M-H]- 167.14413 141.0
[M+Na-2H]- 189.12608 145.0
[M]+ 168.15086 143.4
[M]- 168.15196 143.4
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