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

28
Patents

141.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 132.6
[M+Na]+ 164.104588 136.9
[M-H]- 140.108094 132.4
[M+NH4]+ 159.149193 151.8
[M+K]+ 180.078528 135.4
[M+H-H2O]+ 124.112630 126.5
[M+HCOO]- 186.113571 149.7
[M+CH3COO]- 200.129221 171.3
[M+Na-2H]- 162.090036 136.6
[M]+ 141.11482142 126.5
[M]- 141.11591858 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