CID 246922

2-(2-ethylbutyl)-1-cyclohexanol

Structural Information

Molecular Formula
C12H24O
SMILES
CCC(CC)CC1CCCCC1O
InChI
InChI=1S/C12H24O/c1-3-10(4-2)9-11-7-5-6-8-12(11)13/h10-13H,3-9H2,1-2H3
InChIKey
DNPIKQAQDBSXHV-UHFFFAOYSA-N
Compound name
2-(2-ethylbutyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.18999 147.2
[M+Na]+ 207.17193 150.4
[M-H]- 183.17543 148.1
[M+NH4]+ 202.21653 166.4
[M+K]+ 223.14587 148.6
[M+H-H2O]+ 167.17997 141.7
[M+HCOO]- 229.18091 164.1
[M+CH3COO]- 243.19656 182.9
[M+Na-2H]- 205.15738 148.3
[M]+ 184.18216 143.1
[M]- 184.18326 143.1
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