CID 11344058

20785-46-0

Structural Information

Molecular Formula
C8H13NO
SMILES
C=CCN1CCC(=O)CC1
InChI
InChI=1S/C8H13NO/c1-2-5-9-6-3-8(10)4-7-9/h2H,1,3-7H2
InChIKey
IFGPIJRMICXHER-UHFFFAOYSA-N
Compound name
1-prop-2-enylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

139.09972 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 129.5
[M+Na]+ 162.08894 135.8
[M-H]- 138.09244 131.1
[M+NH4]+ 157.13354 149.8
[M+K]+ 178.06288 134.1
[M+H-H2O]+ 122.09698 123.4
[M+HCOO]- 184.09792 149.4
[M+CH3COO]- 198.11357 173.4
[M+Na-2H]- 160.07439 134.6
[M]+ 139.09917 125.7
[M]- 139.10027 125.7
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