CID 22633091

Piperazine-1-carbonitrile

Structural Information

Molecular Formula
C5H9N3
SMILES
C1CN(CCN1)C#N
InChI
InChI=1S/C5H9N3/c6-5-8-3-1-7-2-4-8/h7H,1-4H2
InChIKey
DJDBLBBSUAQYAA-UHFFFAOYSA-N
Compound name
piperazine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

329
Patents

111.07965 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.086926 119.3
[M+Na]+ 134.068868 126.7
[M-H]- 110.072374 117.8
[M+NH4]+ 129.113473 136.2
[M+K]+ 150.042808 124.7
[M+H-H2O]+ 94.076910 106.0
[M+HCOO]- 156.077851 133.6
[M+CH3COO]- 170.093501 178.3
[M+Na-2H]- 132.054316 126.1
[M]+ 111.07910142 108.2
[M]- 111.08019858 108.2
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