CID 61688033

4-(but-3-yn-1-yl)piperazin-2-one

Structural Information

Molecular Formula
C8H12N2O
SMILES
C#CCCN1CCNC(=O)C1
InChI
InChI=1S/C8H12N2O/c1-2-3-5-10-6-4-9-8(11)7-10/h1H,3-7H2,(H,9,11)
InChIKey
RBRVRBGKCNOUTF-UHFFFAOYSA-N
Compound name
4-but-3-ynylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.09496 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 136.3
[M+Na]+ 175.08418 146.7
[M+NH4]+ 170.12878 140.0
[M+K]+ 191.05812 137.9
[M-H]- 151.08768 128.3
[M+Na-2H]- 173.06963 137.4
[M]+ 152.09441 134.4
[M]- 152.09551 134.4
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.