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]+ 171.055296 133.7
[M+Na]+ 193.037238 145.2
[M-H]- 169.040744 138.4
[M+NH4]+ 188.081843 150.9
[M+K]+ 209.011178 141.8
[M+H-H2O]+ 153.045280 119.7
[M+HCOO]- 215.046221 154.2
[M+CH3COO]- 229.061871 146.6
[M+Na-2H]- 191.022686 140.7
[M]+ 170.04747142 129.6
[M]- 170.04856858 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.