CID 64952635

1-(but-3-yn-1-yl)-3,3-dimethylpiperazine

Structural Information

Molecular Formula
C10H18N2
SMILES
CC1(CN(CCN1)CCC#C)C
InChI
InChI=1S/C10H18N2/c1-4-5-7-12-8-6-11-10(2,3)9-12/h1,11H,5-9H2,2-3H3
InChIKey
PXECSDGQOHJTKH-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-3,3-dimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.147 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.15428 139.5
[M+Na]+ 189.13622 150.0
[M+NH4]+ 184.18082 144.9
[M+K]+ 205.11016 139.2
[M-H]- 165.13972 132.1
[M+Na-2H]- 187.12167 142.2
[M]+ 166.14645 138.0
[M]- 166.14755 138.0
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.