CID 131128910

1,4-diazabicyclo[3.2.1]octane-2-carbonitrile dihydrochloride

Structural Information

Molecular Formula
C7H11N3
SMILES
C1CN2CC1NCC2C#N
InChI
InChI=1S/C7H11N3/c8-3-7-4-9-6-1-2-10(7)5-6/h6-7,9H,1-2,4-5H2
InChIKey
PGRDXNVNIIUYAI-UHFFFAOYSA-N
Compound name
1,4-diazabicyclo[3.2.1]octane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.09529 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 134.4
[M+Na]+ 160.08451 143.7
[M+NH4]+ 155.12911 139.7
[M+K]+ 176.05845 136.3
[M-H]- 136.08801 126.8
[M+Na-2H]- 158.06996 134.2
[M]+ 137.09474 132.5
[M]- 137.09584 132.5
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.