CID 177798179

3-(prop-2-yn-1-yl)piperazin-2-one hydrochloride

Structural Information

Molecular Formula
C7H10N2O
SMILES
C#CCC1C(=O)NCCN1
InChI
InChI=1S/C7H10N2O/c1-2-3-6-7(10)9-5-4-8-6/h1,6,8H,3-5H2,(H,9,10)
InChIKey
WUTYOBNEESYJKC-UHFFFAOYSA-N
Compound name
3-prop-2-ynylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.07932 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 128.2
[M+Na]+ 161.06854 136.1
[M-H]- 137.07204 124.6
[M+NH4]+ 156.11314 143.5
[M+K]+ 177.04248 132.0
[M+H-H2O]+ 121.07658 115.8
[M+HCOO]- 183.07752 138.8
[M+CH3COO]- 197.09317 176.7
[M+Na-2H]- 159.05399 132.1
[M]+ 138.07877 116.1
[M]- 138.07987 116.1
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.