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
2
Annotation Hits

0
References

129
Patents

198.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.20564 149.7
[M+Na]+ 221.18758 159.8
[M+NH4]+ 216.23218 158.5
[M+K]+ 237.16152 153.3
[M-H]- 197.19108 151.5
[M+Na-2H]- 219.17303 154.1
[M]+ 198.19781 151.7
[M]- 198.19891 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe