CID 24229456

5-methylisoxazole-3-carbonitrile

Structural Information

Molecular Formula
C5H4N2O
SMILES
CC1=CC(=NO1)C#N
InChI
InChI=1S/C5H4N2O/c1-4-2-5(3-6)7-8-4/h2H,1H3
InChIKey
JTPIMYCMWLOEDD-UHFFFAOYSA-N
Compound name
5-methyl-1,2-oxazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

108.032364 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.03964 119.3
[M+Na]+ 131.02158 131.3
[M+NH4]+ 126.06619 124.4
[M+K]+ 146.99552 124.8
[M-H]- 107.02509 114.2
[M+Na-2H]- 129.00703 122.9
[M]+ 108.03182 118.7
[M]- 108.03291 118.7
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