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]+ 248.20090 163.9
[M+Na]+ 270.18284 168.1
[M-H]- 246.18634 168.3
[M+NH4]+ 265.22744 187.3
[M+K]+ 286.15678 164.0
[M+H-H2O]+ 230.19088 158.1
[M+HCOO]- 292.19182 178.1
[M+CH3COO]- 306.20747 174.1
[M+Na-2H]- 268.16829 159.7
[M]+ 247.19307 157.8
[M]- 247.19417 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.