CID 16227958

30494-98-5

Structural Information

Molecular Formula
C11H8N2O
SMILES
C1=CC=C(C=C1)C2=NC(=CO2)CC#N
InChI
InChI=1S/C11H8N2O/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h1-5,8H,6H2
InChIKey
NLLYDPLGYXCDPO-UHFFFAOYSA-N
Compound name
2-(2-phenyl-1,3-oxazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

184.06366 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 137.8
[M+Na]+ 207.05288 148.8
[M-H]- 183.05638 142.3
[M+NH4]+ 202.09748 154.5
[M+K]+ 223.02682 145.2
[M+H-H2O]+ 167.06092 123.5
[M+HCOO]- 229.06186 158.0
[M+CH3COO]- 243.07751 150.2
[M+Na-2H]- 205.03833 144.3
[M]+ 184.06311 134.0
[M]- 184.06421 134.0
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