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 130.8
[M+Na]+ 173.06854 141.6
[M-H]- 149.07204 133.4
[M+NH4]+ 168.11314 149.3
[M+K]+ 189.04248 141.1
[M+H-H2O]+ 133.07658 118.3
[M+HCOO]- 195.07752 149.2
[M+CH3COO]- 209.09317 187.9
[M+Na-2H]- 171.05399 137.5
[M]+ 150.07877 127.9
[M]- 150.07987 127.9
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