CID 2737203

84951-44-0

Structural Information

Molecular Formula
C10H12N4
SMILES
C1CN(CCN1)C2=C(C=CC=N2)C#N
InChI
InChI=1S/C10H12N4/c11-8-9-2-1-3-13-10(9)14-6-4-12-5-7-14/h1-3,12H,4-7H2
InChIKey
QSMNQUURWIAXAA-UHFFFAOYSA-N
Compound name
2-piperazin-1-ylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

379
Patents

188.1062 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11348 139.4
[M+Na]+ 211.09542 146.9
[M-H]- 187.09892 138.4
[M+NH4]+ 206.14002 151.8
[M+K]+ 227.06936 141.9
[M+H-H2O]+ 171.10346 123.5
[M+HCOO]- 233.10440 151.9
[M+CH3COO]- 247.12005 148.3
[M+Na-2H]- 209.08087 145.0
[M]+ 188.10565 128.0
[M]- 188.10675 128.0
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