CID 3021165

87887-12-5

Structural Information

Molecular Formula
C14H28O2
SMILES
CCCC(COC1C(CCCC1(C)C)C)O
InChI
InChI=1S/C14H28O2/c1-5-7-12(15)10-16-13-11(2)8-6-9-14(13,3)4/h11-13,15H,5-10H2,1-4H3
InChIKey
MVJUTJROMROTCV-UHFFFAOYSA-N
Compound name
1-(2,2,6-trimethylcyclohexyl)oxypentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

228.20892 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.216196 157.3
[M+Na]+ 251.198138 161.6
[M-H]- 227.201644 158.6
[M+NH4]+ 246.242743 177.1
[M+K]+ 267.172078 160.1
[M+H-H2O]+ 211.206180 152.5
[M+HCOO]- 273.207121 173.8
[M+CH3COO]- 287.222771 191.6
[M+Na-2H]- 249.183586 158.0
[M]+ 228.20837142 156.2
[M]- 228.20946858 156.2
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