CID 4204481

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

Structural Information

Molecular Formula
C10H6N2O
SMILES
C1=CC=C(C=C1)C2=C(N=CO2)C#N
InChI
InChI=1S/C10H6N2O/c11-6-9-10(13-7-12-9)8-4-2-1-3-5-8/h1-5,7H
InChIKey
RVYLXUPJRHATPI-UHFFFAOYSA-N
Compound name
5-phenyl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.04802 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05530 133.7
[M+Na]+ 193.03724 145.2
[M-H]- 169.04074 138.4
[M+NH4]+ 188.08184 150.9
[M+K]+ 209.01118 141.8
[M+H-H2O]+ 153.04528 119.7
[M+HCOO]- 215.04622 154.2
[M+CH3COO]- 229.06187 146.6
[M+Na-2H]- 191.02269 140.7
[M]+ 170.04747 129.6
[M]- 170.04857 129.6
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

No patent data available for this compound.