CID 23006338

2-(1,2-oxazol-4-yl)acetonitrile

Structural Information

Molecular Formula
C5H4N2O
SMILES
C1=C(C=NO1)CC#N
InChI
InChI=1S/C5H4N2O/c6-2-1-5-3-7-8-4-5/h3-4H,1H2
InChIKey
ZMJZNHYSDJGFMG-UHFFFAOYSA-N
Compound name
2-(1,2-oxazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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

No literature data available for this compound.

Patent stripe

patents stripe