CID 82651497

2-tert-butyl-1,3-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C8H10N2O
SMILES
CC(C)(C)C1=NC(=CO1)C#N
InChI
InChI=1S/C8H10N2O/c1-8(2,3)7-10-6(4-9)5-11-7/h5H,1-3H3
InChIKey
JYBIPHZCCNKYPY-UHFFFAOYSA-N
Compound name
2-tert-butyl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

150.07932 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 131.6
[M+Na]+ 173.06854 142.7
[M+NH4]+ 168.11314 136.0
[M+K]+ 189.04248 136.6
[M-H]- 149.07204 125.8
[M+Na-2H]- 171.05399 134.4
[M]+ 150.07877 130.7
[M]- 150.07987 130.7
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