CID 3056028

Brn 1644365

Structural Information

Molecular Formula
C16H25NO
SMILES
C1CCN(CC1)CC2[C@H]3C[C@@H](C2=O)[C@H]4[C@@H]3CCC4
InChI
InChI=1S/C16H25NO/c18-16-14-9-13(11-5-4-6-12(11)14)15(16)10-17-7-2-1-3-8-17/h11-15H,1-10H2/t11-,12+,13-,14+,15?/m0/s1
InChIKey
JLCMDFNLXWGPNY-DRWKLNATSA-N
Compound name
(1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 163.9
[M+Na]+ 270.182838 168.1
[M-H]- 246.186344 168.3
[M+NH4]+ 265.227443 187.3
[M+K]+ 286.156778 164.0
[M+H-H2O]+ 230.190880 158.1
[M+HCOO]- 292.191821 178.1
[M+CH3COO]- 306.207471 174.1
[M+Na-2H]- 268.168286 159.7
[M]+ 247.19307142 157.8
[M]- 247.19416858 157.8
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.