CID 377498

Nsc658982

Structural Information

Molecular Formula
C8H5N3O2
SMILES
C1=COC(=C1)C2=NC(=C(O2)N)C#N
InChI
InChI=1S/C8H5N3O2/c9-4-5-7(10)13-8(11-5)6-2-1-3-12-6/h1-3H,10H2
InChIKey
KRWPUSANHUBCKR-UHFFFAOYSA-N
Compound name
5-amino-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

175.03818 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.04546 133.1
[M+Na]+ 198.02740 145.6
[M-H]- 174.03090 138.4
[M+NH4]+ 193.07200 150.1
[M+K]+ 214.00134 144.2
[M+H-H2O]+ 158.03544 119.4
[M+HCOO]- 220.03638 155.5
[M+CH3COO]- 234.05203 146.6
[M+Na-2H]- 196.01285 139.0
[M]+ 175.03763 130.9
[M]- 175.03873 130.9
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.