CID 11228764

1,2-oxazole-5-carbonitrile

Structural Information

Molecular Formula
C4H2N2O
SMILES
C1=C(ON=C1)C#N
InChI
InChI=1S/C4H2N2O/c5-3-4-1-2-6-7-4/h1-2H
InChIKey
MCCCJBNRMFLROD-UHFFFAOYSA-N
Compound name
1,2-oxazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

94.016716 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.023992 110.8
[M+Na]+ 117.00593 122.0
[M-H]- 93.009440 113.3
[M+NH4]+ 112.05054 130.9
[M+K]+ 132.97987 121.9
[M+H-H2O]+ 77.013976 98.1
[M+HCOO]- 139.01492 131.9
[M+CH3COO]- 153.03057 176.4
[M+Na-2H]- 114.99138 119.8
[M]+ 94.016167 106.9
[M]- 94.017265 106.9
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