CID 90843

Octane, 1-ethoxy-3,7-dimethyl-

Structural Information

Molecular Formula

C₁₂H₂₆O

SMILES

CCOCCC(C)CCCC(C)C

InChI

InChI=1S/C12H26O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h11-12H,5-10H2,1-4H3

InChIKey

HCHHIPCZJSRFRT-UHFFFAOYSA-N

Compound name

1-ethoxy-3,7-dimethyloctane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 186.19836 Da
Monoisotopic Mass: 4.6
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]+	187.20564	148.2
[M+Na]+	209.18758	157.5
[M+NH4]+	204.23218	155.9
[M+K]+	225.16152	151.2
[M-H]-	185.19108	147.8
[M+Na-2H]-	207.17303	150.7
[M]+	186.19781	149.3
[M]-	186.19891	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe