CID 13449567

5-amino-3-phenyl-1,2-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C10H7N3O
SMILES
C1=CC=C(C=C1)C2=NOC(=C2C#N)N
InChI
InChI=1S/C10H7N3O/c11-6-8-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-5H,12H2
InChIKey
BQNWRJWQLYUVKN-UHFFFAOYSA-N
Compound name
5-amino-3-phenyl-1,2-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

185.05891 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.066186 139.7
[M+Na]+ 208.048128 150.9
[M-H]- 184.051634 144.1
[M+NH4]+ 203.092733 155.9
[M+K]+ 224.022068 147.4
[M+H-H2O]+ 168.056170 125.4
[M+HCOO]- 230.057111 160.4
[M+CH3COO]- 244.072761 151.9
[M+Na-2H]- 206.033576 145.2
[M]+ 185.05836142 134.3
[M]- 185.05945858 134.3
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