CID 12605755

1-(prop-2-yn-1-yl)piperidine-2,6-dione

Structural Information

Molecular Formula
C8H9NO2
SMILES
C#CCN1C(=O)CCCC1=O
InChI
InChI=1S/C8H9NO2/c1-2-6-9-7(10)4-3-5-8(9)11/h1H,3-6H2
InChIKey
RKKKXHLLUBKESV-UHFFFAOYSA-N
Compound name
1-prop-2-ynylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

151.06332 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 127.3
[M+Na]+ 174.052538 137.0
[M-H]- 150.056044 128.1
[M+NH4]+ 169.097143 145.0
[M+K]+ 190.026478 134.0
[M+H-H2O]+ 134.060580 115.5
[M+HCOO]- 196.061521 142.1
[M+CH3COO]- 210.077171 183.7
[M+Na-2H]- 172.037986 131.3
[M]+ 151.06277142 119.7
[M]- 151.06386858 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

patents stripe