CID 379661

3-quinuclidinemalononitrile

Structural Information

Molecular Formula
C10H13N3
SMILES
C1CN2CCC1C(C2)C(C#N)C#N
InChI
InChI=1S/C10H13N3/c11-5-9(6-12)10-7-13-3-1-8(10)2-4-13/h8-10H,1-4,7H2
InChIKey
BUKCFODSLIUASM-UHFFFAOYSA-N
Compound name
2-(1-azabicyclo[2.2.2]octan-3-yl)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

175.11095 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.118226 149.7
[M+Na]+ 198.100168 158.7
[M-H]- 174.103674 148.7
[M+NH4]+ 193.144773 165.3
[M+K]+ 214.074108 149.3
[M+H-H2O]+ 158.108210 136.8
[M+HCOO]- 220.109151 154.1
[M+CH3COO]- 234.124801 156.0
[M+Na-2H]- 196.085616 155.5
[M]+ 175.11040142 141.9
[M]- 175.11149858 141.9
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.