CID 20562996

2-oxazoleacetonitrile

Structural Information

Molecular Formula
C5H4N2O
SMILES
C1=COC(=N1)CC#N
InChI
InChI=1S/C5H4N2O/c6-2-1-5-7-3-4-8-5/h3-4H,1H2
InChIKey
GBVNLARDRLKRNJ-UHFFFAOYSA-N
Compound name
2-(1,3-oxazol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

108.032364 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.03964 120.6
[M+Na]+ 131.02158 132.3
[M+NH4]+ 126.06619 125.7
[M+K]+ 146.99552 125.5
[M-H]- 107.02509 115.4
[M+Na-2H]- 129.00703 124.4
[M]+ 108.03182 119.9
[M]- 108.03291 119.9
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