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
1
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]+ 176.11823 149.7
[M+Na]+ 198.10017 158.7
[M-H]- 174.10367 148.7
[M+NH4]+ 193.14477 165.3
[M+K]+ 214.07411 149.3
[M+H-H2O]+ 158.10821 136.8
[M+HCOO]- 220.10915 154.1
[M+CH3COO]- 234.12480 156.0
[M+Na-2H]- 196.08562 155.5
[M]+ 175.11040 141.9
[M]- 175.11150 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.