CID 43556191

1-(4-aminopiperidin-1-yl)prop-2-en-1-one hydrochloride

Structural Information

Molecular Formula
C8H14N2O
SMILES
C=CC(=O)N1CCC(CC1)N
InChI
InChI=1S/C8H14N2O/c1-2-8(11)10-5-3-7(9)4-6-10/h2,7H,1,3-6,9H2
InChIKey
LVDSNOXLHFQPQC-UHFFFAOYSA-N
Compound name
1-(4-aminopiperidin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

154.11061 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 134.9
[M+Na]+ 177.099828 140.2
[M-H]- 153.103334 136.0
[M+NH4]+ 172.144433 154.0
[M+K]+ 193.073768 138.5
[M+H-H2O]+ 137.107870 128.5
[M+HCOO]- 199.108811 154.2
[M+CH3COO]- 213.124461 177.7
[M+Na-2H]- 175.085276 138.0
[M]+ 154.11006142 128.6
[M]- 154.11115858 128.6
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