CID 10103349

3-(but-3-en-1-yl)piperidin-2-one

Structural Information

Molecular Formula
C9H15NO
SMILES
C=CCCC1CCCNC1=O
InChI
InChI=1S/C9H15NO/c1-2-3-5-8-6-4-7-10-9(8)11/h2,8H,1,3-7H2,(H,10,11)
InChIKey
WSOJCIKEXDMISE-UHFFFAOYSA-N
Compound name
3-but-3-enylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 135.1
[M+Na]+ 176.10459 140.4
[M-H]- 152.10809 135.0
[M+NH4]+ 171.14919 154.0
[M+K]+ 192.07853 137.6
[M+H-H2O]+ 136.11263 129.0
[M+HCOO]- 198.11357 153.0
[M+CH3COO]- 212.12922 173.8
[M+Na-2H]- 174.09004 139.1
[M]+ 153.11482 129.7
[M]- 153.11592 129.7
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

No patent data available for this compound.