CID 165942783

2271950-69-5

Structural Information

Molecular Formula
C12H14N4
SMILES
C1CC2CNCC1N2C3=C(C=NC=C3)C#N
InChI
InChI=1S/C12H14N4/c13-5-9-6-14-4-3-12(9)16-10-1-2-11(16)8-15-7-10/h3-4,6,10-11,15H,1-2,7-8H2
InChIKey
YWJVYFBLVOJSAV-UHFFFAOYSA-N
Compound name
4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12184 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.129116 146.3
[M+Na]+ 237.111058 155.1
[M-H]- 213.114564 145.1
[M+NH4]+ 232.155663 161.2
[M+K]+ 253.084998 147.8
[M+H-H2O]+ 197.119100 130.9
[M+HCOO]- 259.120041 157.5
[M+CH3COO]- 273.135691 155.2
[M+Na-2H]- 235.096506 150.3
[M]+ 214.12129142 136.1
[M]- 214.12238858 136.1
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.