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 154.7
[M+Na]+ 233.18758 159.0
[M-H]- 209.19108 159.3
[M+NH4]+ 228.23218 178.3
[M+K]+ 249.16152 156.6
[M+H-H2O]+ 193.19562 150.6
[M+HCOO]- 255.19656 172.0
[M+CH3COO]- 269.21221 183.6
[M+Na-2H]- 231.17303 155.0
[M]+ 210.19781 149.3
[M]- 210.19891 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.