CID 112066

10534-30-2

Structural Information

Molecular Formula
C14H28O
SMILES
CCC1CCC(CC1)C(C)(C)CC(C)O
InChI
InChI=1S/C14H28O/c1-5-12-6-8-13(9-7-12)14(3,4)10-11(2)15/h11-13,15H,5-10H2,1-4H3
InChIKey
ZFKUKDNUHCDBFK-UHFFFAOYSA-N
Compound name
4-(4-ethylcyclohexyl)-4-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.21402 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.22130 155.2
[M+Na]+ 235.20324 158.1
[M-H]- 211.20674 156.1
[M+NH4]+ 230.24784 173.4
[M+K]+ 251.17718 156.2
[M+H-H2O]+ 195.21128 150.0
[M+HCOO]- 257.21222 169.9
[M+CH3COO]- 271.22787 189.3
[M+Na-2H]- 233.18869 156.1
[M]+ 212.21347 151.5
[M]- 212.21457 151.5
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

No patent data available for this compound.