CID 5365847

Ethyl geranyl ether

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CCOC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C12H22O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+

InChIKey

LOUIMJFJROISMD-FMIVXFBMSA-N

Compound name

(2E)-1-ethoxy-3,7-dimethylocta-2,6-diene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 318
Patents: 182.16707 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.17435	147.3
[M+Na]+	205.15629	152.4
[M-H]-	181.15979	146.9
[M+NH4]+	200.20089	167.6
[M+K]+	221.13023	150.9
[M+H-H2O]+	165.16433	142.3
[M+HCOO]-	227.16527	167.9
[M+CH3COO]-	241.18092	185.9
[M+Na-2H]-	203.14174	148.8
[M]+	182.16652	149.5
[M]-	182.16762	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe