CID 14947195

2-(piperazin-2-yl)acetonitrile dihydrochloride

Structural Information

Molecular Formula
C6H11N3
SMILES
C1CNC(CN1)CC#N
InChI
InChI=1S/C6H11N3/c7-2-1-6-5-8-3-4-9-6/h6,8-9H,1,3-5H2
InChIKey
TVKAZNBVXZKTAV-UHFFFAOYSA-N
Compound name
2-piperazin-2-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

253
Patents

125.0953 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.102576 124.7
[M+Na]+ 148.084518 131.4
[M-H]- 124.088024 121.9
[M+NH4]+ 143.129123 140.5
[M+K]+ 164.058458 128.4
[M+H-H2O]+ 108.092560 111.5
[M+HCOO]- 170.093501 137.4
[M+CH3COO]- 184.109151 178.6
[M+Na-2H]- 146.069966 130.5
[M]+ 125.09475142 112.3
[M]- 125.09584858 112.3
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