CID 131073098

2470437-76-2

Structural Information

Molecular Formula
C10H12N4
SMILES
C1CNCCC1C2=NC=C(C=N2)C#N
InChI
InChI=1S/C10H12N4/c11-5-8-6-13-10(14-7-8)9-1-3-12-4-2-9/h6-7,9,12H,1-4H2
InChIKey
TZPUPFBPRZNHJS-UHFFFAOYSA-N
Compound name
2-piperidin-4-ylpyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.1062 Da
Monoisotopic Mass

0.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.