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

literature stripe

Patent stripe

patents stripe