CID 11159443

(-)-pinidinone

Structural Information

Molecular Formula
C9H17NO
SMILES
C[C@@H]1CCC[C@@H](N1)CC(=O)C
InChI
InChI=1S/C9H17NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7,9-10H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKey
PLVQSRXCDPEDHN-VXNVDRBHSA-N
Compound name
1-[(2R,6R)-6-methylpiperidin-2-yl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

155.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 136.6
[M+Na]+ 178.120228 141.5
[M-H]- 154.123734 136.6
[M+NH4]+ 173.164833 155.6
[M+K]+ 194.094168 139.7
[M+H-H2O]+ 138.128270 130.7
[M+HCOO]- 200.129211 153.4
[M+CH3COO]- 214.144861 175.5
[M+Na-2H]- 176.105676 139.4
[M]+ 155.13046142 131.3
[M]- 155.13155858 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe