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 126.5
[M+Na]+ 160.08451 135.3
[M-H]- 136.08801 124.6
[M+NH4]+ 155.12911 145.9
[M+K]+ 176.05845 130.7
[M+H-H2O]+ 120.09255 113.6
[M+HCOO]- 182.09349 139.4
[M+CH3COO]- 196.10914 137.2
[M+Na-2H]- 158.06996 132.1
[M]+ 137.09474 116.5
[M]- 137.09584 116.5
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.