CID 14627369

1-(2-propynyl)piperazine

Structural Information

Molecular Formula
C7H12N2
SMILES
C#CCN1CCNCC1
InChI
InChI=1S/C7H12N2/c1-2-5-9-6-3-8-4-7-9/h1,8H,3-7H2
InChIKey
GWCSATTUAOHJDK-UHFFFAOYSA-N
Compound name
1-prop-2-ynylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

486
Patents

124.10005 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 124.2
[M+Na]+ 147.089268 131.4
[M-H]- 123.092774 121.4
[M+NH4]+ 142.133873 140.5
[M+K]+ 163.063208 128.1
[M+H-H2O]+ 107.097310 111.3
[M+HCOO]- 169.098251 135.8
[M+CH3COO]- 183.113901 177.1
[M+Na-2H]- 145.074716 129.4
[M]+ 124.09950142 112.8
[M]- 124.10059858 112.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe