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]+ 151.086596 130.8
[M+Na]+ 173.068538 141.6
[M-H]- 149.072044 133.4
[M+NH4]+ 168.113143 149.3
[M+K]+ 189.042478 141.1
[M+H-H2O]+ 133.076580 118.3
[M+HCOO]- 195.077521 149.2
[M+CH3COO]- 209.093171 187.9
[M+Na-2H]- 171.053986 137.5
[M]+ 150.07877142 127.9
[M]- 150.07986858 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