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]+ 215.12912 155.1
[M+Na]+ 237.11106 166.3
[M+NH4]+ 232.15566 160.0
[M+K]+ 253.08500 157.7
[M-H]- 213.11456 149.1
[M+Na-2H]- 235.09651 156.6
[M]+ 214.12129 154.0
[M]- 214.12239 154.0
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.