CID 138040412

1-(prop-2-yn-1-yl)piperidine-2,5-dione

Structural Information

Molecular Formula
C8H9NO2
SMILES
C#CCN1CC(=O)CCC1=O
InChI
InChI=1S/C8H9NO2/c1-2-5-9-6-7(10)3-4-8(9)11/h1H,3-6H2
InChIKey
PESABWFEQDHXLK-UHFFFAOYSA-N
Compound name
1-prop-2-ynylpiperidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 127.3
[M+Na]+ 174.05254 137.0
[M-H]- 150.05604 128.1
[M+NH4]+ 169.09714 145.0
[M+K]+ 190.02648 134.0
[M+H-H2O]+ 134.06058 115.5
[M+HCOO]- 196.06152 142.1
[M+CH3COO]- 210.07717 183.7
[M+Na-2H]- 172.03799 131.3
[M]+ 151.06277 119.7
[M]- 151.06387 119.7
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.