CID 18974564

181258-87-7

Structural Information

Molecular Formula

C₁₃H₂₆O

SMILES

CCC(C)(C)C1CCC(CC1)OCC

InChI

InChI=1S/C13H26O/c1-5-13(3,4)11-7-9-12(10-8-11)14-6-2/h11-12H,5-10H2,1-4H3

InChIKey

KDPSHFVSTJYAJQ-UHFFFAOYSA-N

Compound name

1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 141
Patents: 198.19836 Da
Monoisotopic Mass: 4.2
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]+	199.20564	150.2
[M+Na]+	221.18758	154.2
[M-H]-	197.19108	152.6
[M+NH4]+	216.23218	169.8
[M+K]+	237.16152	153.0
[M+H-H2O]+	181.19562	144.8
[M+HCOO]-	243.19656	167.7
[M+CH3COO]-	257.21221	188.1
[M+Na-2H]-	219.17303	153.3
[M]+	198.19781	148.7
[M]-	198.19891	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe