CID 45083124

564484-66-8

Structural Information

Molecular Formula
C8H13NO2
SMILES
C=CCN1CC(CCC1=O)O
InChI
InChI=1S/C8H13NO2/c1-2-5-9-6-7(10)3-4-8(9)11/h2,7,10H,1,3-6H2
InChIKey
QWRYYGDQXQIYHL-UHFFFAOYSA-N
Compound name
5-hydroxy-1-prop-2-enylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 133.0
[M+Na]+ 178.083858 139.7
[M-H]- 154.087364 133.5
[M+NH4]+ 173.128463 152.1
[M+K]+ 194.057798 137.6
[M+H-H2O]+ 138.091900 127.3
[M+HCOO]- 200.092841 151.5
[M+CH3COO]- 214.108491 173.9
[M+Na-2H]- 176.069306 136.9
[M]+ 155.09409142 129.1
[M]- 155.09518858 129.1
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.