CID 22719613

2-amino-3-cyanofuran

Structural Information

Molecular Formula
C5H4N2O
SMILES
C1=COC(=C1C#N)N
InChI
InChI=1S/C5H4N2O/c6-3-4-1-2-8-5(4)7/h1-2H,7H2
InChIKey
WCFLBCQUEZKJJD-UHFFFAOYSA-N
Compound name
2-aminofuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

108.032364 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.03964 118.7
[M+Na]+ 131.02158 129.7
[M-H]- 107.02509 122.5
[M+NH4]+ 126.06619 139.3
[M+K]+ 146.99552 128.9
[M+H-H2O]+ 91.029624 106.8
[M+HCOO]- 153.03056 141.0
[M+CH3COO]- 167.04622 181.4
[M+Na-2H]- 129.00703 125.8
[M]+ 108.03182 113.5
[M]- 108.03291 113.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe