CID 584847

2-(adamantan-1-yl)cyclopentan-1-one

Structural Information

Molecular Formula
C15H22O
SMILES
C1CC(C(=O)C1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C15H22O/c16-14-3-1-2-13(14)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-13H,1-9H2
InChIKey
SJHJFLNFWMCUFF-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 149.6
[M+Na]+ 241.156288 151.2
[M-H]- 217.159794 147.7
[M+NH4]+ 236.200893 176.4
[M+K]+ 257.130228 146.5
[M+H-H2O]+ 201.164330 143.0
[M+HCOO]- 263.165271 155.8
[M+CH3COO]- 277.180921 158.3
[M+Na-2H]- 239.141736 155.9
[M]+ 218.16652142 146.3
[M]- 218.16761858 146.3
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.