CID 18974564

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

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

120
Patents

198.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.205636 150.2
[M+Na]+ 221.187578 154.2
[M-H]- 197.191084 152.6
[M+NH4]+ 216.232183 169.8
[M+K]+ 237.161518 153.0
[M+H-H2O]+ 181.195620 144.8
[M+HCOO]- 243.196561 167.7
[M+CH3COO]- 257.212211 188.1
[M+Na-2H]- 219.173026 153.3
[M]+ 198.19781142 148.7
[M]- 198.19890858 148.7
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