CID 44148234

94070-98-1

Structural Information

Molecular Formula
C14H26O
SMILES
CC(C)(C)C1(CCCC1C2CCCC2)O
InChI
InChI=1S/C14H26O/c1-13(2,3)14(15)10-6-9-12(14)11-7-4-5-8-11/h11-12,15H,4-10H2,1-3H3
InChIKey
UBOUZFDYGXBBHQ-UHFFFAOYSA-N
Compound name
1-tert-butyl-2-cyclopentylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.19836 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.20564 153.0
[M+Na]+ 233.18758 160.3
[M+NH4]+ 228.23218 163.1
[M+K]+ 249.16152 156.6
[M-H]- 209.19108 154.8
[M+Na-2H]- 231.17303 157.6
[M]+ 210.19781 154.5
[M]- 210.19891 154.5
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.