CID 44148234

Einecs 301-798-6

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
2
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]+ 211.205636 154.7
[M+Na]+ 233.187578 159.0
[M-H]- 209.191084 159.3
[M+NH4]+ 228.232183 178.3
[M+K]+ 249.161518 156.6
[M+H-H2O]+ 193.195620 150.6
[M+HCOO]- 255.196561 172.0
[M+CH3COO]- 269.212211 183.6
[M+Na-2H]- 231.173026 155.0
[M]+ 210.19781142 149.3
[M]- 210.19890858 149.3
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.