CID 63657846

4-(but-3-yn-1-yl)-1,2,2-trimethylpiperazine

Structural Information

Molecular Formula
C11H20N2
SMILES
CC1(CN(CCN1C)CCC#C)C
InChI
InChI=1S/C11H20N2/c1-5-6-7-13-9-8-12(4)11(2,3)10-13/h1H,6-10H2,2-4H3
InChIKey
MAKGQNILNZAINL-UHFFFAOYSA-N
Compound name
4-but-3-ynyl-1,2,2-trimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.16264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.16992 141.4
[M+Na]+ 203.15186 152.7
[M+NH4]+ 198.19646 147.1
[M+K]+ 219.12580 141.6
[M-H]- 179.15536 134.6
[M+Na-2H]- 201.13731 144.4
[M]+ 180.16209 140.4
[M]- 180.16319 140.4
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.