CID 22665808

4-aminofuro[3,2-c]pyridine-2-carbonitrile hydrochloride

Structural Information

Molecular Formula
C8H5N3O
SMILES
C1=CN=C(C2=C1OC(=C2)C#N)N
InChI
InChI=1S/C8H5N3O/c9-4-5-3-6-7(12-5)1-2-11-8(6)10/h1-3H,(H2,10,11)
InChIKey
NSDFTKRKGGXZRE-UHFFFAOYSA-N
Compound name
4-aminofuro[3,2-c]pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

159.04326 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05054 131.5
[M+Na]+ 182.03248 144.6
[M-H]- 158.03598 134.6
[M+NH4]+ 177.07708 150.1
[M+K]+ 198.00642 141.1
[M+H-H2O]+ 142.04052 118.4
[M+HCOO]- 204.04146 152.8
[M+CH3COO]- 218.05711 144.8
[M+Na-2H]- 180.01793 139.5
[M]+ 159.04271 128.1
[M]- 159.04381 128.1
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

patents stripe