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 135.5
[M+Na]+ 189.13622 143.6
[M-H]- 165.13972 133.2
[M+NH4]+ 184.18082 152.6
[M+K]+ 205.11016 139.3
[M+H-H2O]+ 149.14426 123.3
[M+HCOO]- 211.14520 146.4
[M+CH3COO]- 225.16085 185.8
[M+Na-2H]- 187.12167 139.7
[M]+ 166.14645 125.9
[M]- 166.14755 125.9
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.