CID 2737184

149554-29-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

401
Patents

188.1062 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.113476 139.4
[M+Na]+ 211.095418 146.9
[M-H]- 187.098924 138.4
[M+NH4]+ 206.140023 151.8
[M+K]+ 227.069358 141.9
[M+H-H2O]+ 171.103460 123.5
[M+HCOO]- 233.104401 151.9
[M+CH3COO]- 247.120051 148.3
[M+Na-2H]- 209.080866 145.0
[M]+ 188.10565142 128.0
[M]- 188.10674858 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

No literature data available for this compound.

Patent stripe

patents stripe