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 146.3
[M+Na]+ 237.11106 155.1
[M-H]- 213.11456 145.1
[M+NH4]+ 232.15566 161.2
[M+K]+ 253.08500 147.8
[M+H-H2O]+ 197.11910 130.9
[M+HCOO]- 259.12004 157.5
[M+CH3COO]- 273.13569 155.2
[M+Na-2H]- 235.09651 150.3
[M]+ 214.12129 136.1
[M]- 214.12239 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.