CID 45791038

1-piperidin-3-ylpropan-1-one

Structural Information

Molecular Formula
C8H15NO
SMILES
CCC(=O)C1CCCNC1
InChI
InChI=1S/C8H15NO/c1-2-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3
InChIKey
LLMKXWOGGBBSTI-UHFFFAOYSA-N
Compound name
1-piperidin-3-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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

No literature data available for this compound.

Patent stripe

patents stripe