CID 350473

1-(piperidin-1-yl)prop-2-en-1-one

Structural Information

Molecular Formula
C8H13NO
SMILES
C=CC(=O)N1CCCCC1
InChI
InChI=1S/C8H13NO/c1-2-8(10)9-6-4-3-5-7-9/h2H,1,3-7H2
InChIKey
RESPXSHDJQUNTN-UHFFFAOYSA-N
Compound name
1-piperidin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7690
Patents

139.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 131.8
[M+Na]+ 162.08894 142.3
[M+NH4]+ 157.13354 140.0
[M+K]+ 178.06288 136.3
[M-H]- 138.09244 132.6
[M+Na-2H]- 160.07439 136.5
[M]+ 139.09917 133.2
[M]- 139.10027 133.2
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