CID 92987

Pelletierine

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(=O)CC1CCCCN1
InChI
InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3
InChIKey
JEIZLWNUBXHADF-UHFFFAOYSA-N
Compound name
1-piperidin-2-ylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

751
Patents

141.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 132.6
[M+Na]+ 164.10459 136.9
[M-H]- 140.10809 132.4
[M+NH4]+ 159.14919 151.8
[M+K]+ 180.07853 135.4
[M+H-H2O]+ 124.11263 126.5
[M+HCOO]- 186.11357 149.7
[M+CH3COO]- 200.12922 171.3
[M+Na-2H]- 162.09004 136.6
[M]+ 141.11482 126.5
[M]- 141.11592 126.5
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