CID 164422

2-butanol, 1-[[2-(1,1-dimethylethyl)cyclohexyl]oxy]-

Structural Information

Molecular Formula
C14H28O2
SMILES
CCC(COC1CCCCC1C(C)(C)C)O
InChI
InChI=1S/C14H28O2/c1-5-11(15)10-16-13-9-7-6-8-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKey
GQBVHGLNSHPKPG-UHFFFAOYSA-N
Compound name
1-(2-tert-butylcyclohexyl)oxybutan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1259
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 158.7
[M+Na]+ 251.198138 161.6
[M-H]- 227.201644 159.6
[M+NH4]+ 246.242743 176.3
[M+K]+ 267.172078 160.3
[M+H-H2O]+ 211.206180 153.4
[M+HCOO]- 273.207121 173.6
[M+CH3COO]- 287.222771 190.6
[M+Na-2H]- 249.183586 159.6
[M]+ 228.20837142 156.4
[M]- 228.20946858 156.4
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