CID 14507689

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

Structural Information

Molecular Formula
C8H13NO
SMILES
C=CCC1CCCC(=O)N1
InChI
InChI=1S/C8H13NO/c1-2-4-7-5-3-6-8(10)9-7/h2,7H,1,3-6H2,(H,9,10)
InChIKey
LWQSPUJDMOQXMP-UHFFFAOYSA-N
Compound name
6-prop-2-enylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

139.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 130.5
[M+Na]+ 162.088938 136.4
[M-H]- 138.092444 130.7
[M+NH4]+ 157.133543 150.1
[M+K]+ 178.062878 133.8
[M+H-H2O]+ 122.096980 124.7
[M+HCOO]- 184.097921 148.9
[M+CH3COO]- 198.113571 170.7
[M+Na-2H]- 160.074386 135.1
[M]+ 139.09917142 124.8
[M]- 139.10026858 124.8
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