CID 6365747

75391-51-4

Structural Information

Molecular Formula

C₁₄H₂₆O₃

SMILES

CC(=CCC/C(=C/COCC(OC)OC)/C)C

InChI

InChI=1S/C14H26O3/c1-12(2)7-6-8-13(3)9-10-17-11-14(15-4)16-5/h7,9,14H,6,8,10-11H2,1-5H3/b13-9+

InChIKey

NPBSCTNZMOBINO-UKTHLTGXSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 242.1882 Da
Monoisotopic Mass: 3.3
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]+	243.19548	161.5
[M+Na]+	265.17742	169.1
[M+NH4]+	260.22202	166.9
[M+K]+	281.15136	164.1
[M-H]-	241.18092	159.1
[M+Na-2H]-	263.16287	161.8
[M]+	242.18765	161.5
[M]-	242.18875	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe