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 136.5
[M+Na]+ 203.15186 145.3
[M-H]- 179.15536 135.7
[M+NH4]+ 198.19646 154.0
[M+K]+ 219.12580 141.8
[M+H-H2O]+ 163.15990 124.1
[M+HCOO]- 225.16084 148.5
[M+CH3COO]- 239.17649 191.9
[M+Na-2H]- 201.13731 140.3
[M]+ 180.16209 129.2
[M]- 180.16319 129.2
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.