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]+ 139.086596 128.2
[M+Na]+ 161.068538 136.1
[M-H]- 137.072044 124.6
[M+NH4]+ 156.113143 143.5
[M+K]+ 177.042478 132.0
[M+H-H2O]+ 121.076580 115.8
[M+HCOO]- 183.077521 138.8
[M+CH3COO]- 197.093171 176.7
[M+Na-2H]- 159.053986 132.1
[M]+ 138.07877142 116.1
[M]- 138.07986858 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.