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

1354
Patents

228.20892 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.21620 158.7
[M+Na]+ 251.19814 161.6
[M-H]- 227.20164 159.6
[M+NH4]+ 246.24274 176.3
[M+K]+ 267.17208 160.3
[M+H-H2O]+ 211.20618 153.4
[M+HCOO]- 273.20712 173.6
[M+CH3COO]- 287.22277 190.6
[M+Na-2H]- 249.18359 159.6
[M]+ 228.20837 156.4
[M]- 228.20947 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