CID 91662769

1,5-diazabicyclo[3.2.2]nonane-6-carbonitrile

Structural Information

Molecular Formula
C8H13N3
SMILES
C1CN2CCN(C1)C(C2)C#N
InChI
InChI=1S/C8H13N3/c9-6-8-7-10-2-1-3-11(8)5-4-10/h8H,1-5,7H2
InChIKey
AUVZEJYYMHQPER-UHFFFAOYSA-N
Compound name
1,5-diazabicyclo[3.2.2]nonane-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.11095 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 135.3
[M+Na]+ 174.10017 140.2
[M+NH4]+ 169.14477 139.7
[M+K]+ 190.07411 136.0
[M-H]- 150.10367 128.1
[M+Na-2H]- 172.08562 133.2
[M]+ 151.11040 133.3
[M]- 151.11150 133.3
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.