CID 175211

Ethyl linalyl ether

Structural Information

Molecular Formula
C12H22O
SMILES
CCOC(C)(CCC=C(C)C)C=C
InChI
InChI=1S/C12H22O/c1-6-12(5,13-7-2)10-8-9-11(3)4/h6,9H,1,7-8,10H2,2-5H3
InChIKey
GSFBRCUXDDCNKV-UHFFFAOYSA-N
Compound name
3-ethoxy-3,7-dimethylocta-1,6-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2373
Patents

182.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 146.0
[M+Na]+ 205.15629 151.8
[M-H]- 181.15979 145.8
[M+NH4]+ 200.20089 166.4
[M+K]+ 221.13023 150.1
[M+H-H2O]+ 165.16433 141.6
[M+HCOO]- 227.16527 166.1
[M+CH3COO]- 241.18092 186.0
[M+Na-2H]- 203.14174 149.5
[M]+ 182.16652 148.5
[M]- 182.16762 148.5
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