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]+ 156.10192 133.0
[M+Na]+ 178.08386 139.7
[M-H]- 154.08736 133.5
[M+NH4]+ 173.12846 152.1
[M+K]+ 194.05780 137.6
[M+H-H2O]+ 138.09190 127.3
[M+HCOO]- 200.09284 151.5
[M+CH3COO]- 214.10849 173.9
[M+Na-2H]- 176.06931 136.9
[M]+ 155.09409 129.1
[M]- 155.09519 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.