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

44
Patents

154.11061 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 134.9
[M+Na]+ 177.09983 140.2
[M-H]- 153.10333 136.0
[M+NH4]+ 172.14443 154.0
[M+K]+ 193.07377 138.5
[M+H-H2O]+ 137.10787 128.5
[M+HCOO]- 199.10881 154.2
[M+CH3COO]- 213.12446 177.7
[M+Na-2H]- 175.08528 138.0
[M]+ 154.11006 128.6
[M]- 154.11116 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