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 136.4
[M+Na]+ 174.10017 146.7
[M-H]- 150.10367 136.3
[M+NH4]+ 169.14477 154.9
[M+K]+ 190.07411 141.0
[M+H-H2O]+ 134.10821 129.9
[M+HCOO]- 196.10915 145.1
[M+CH3COO]- 210.12480 145.7
[M+Na-2H]- 172.08562 146.5
[M]+ 151.11040 131.0
[M]- 151.11150 131.0
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.