CID 17858253

2-tert-butyl-1,3-oxazole

Structural Information

Molecular Formula
C7H11NO
SMILES
CC(C)(C)C1=NC=CO1
InChI
InChI=1S/C7H11NO/c1-7(2,3)6-8-4-5-9-6/h4-5H,1-3H3
InChIKey
SVGNGCCLNRYOJL-UHFFFAOYSA-N
Compound name
2-tert-butyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1096
Patents

125.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 124.2
[M+Na]+ 148.07328 133.0
[M-H]- 124.07678 127.5
[M+NH4]+ 143.11788 145.9
[M+K]+ 164.04722 133.8
[M+H-H2O]+ 108.08132 119.1
[M+HCOO]- 170.08226 146.6
[M+CH3COO]- 184.09791 169.7
[M+Na-2H]- 146.05873 132.8
[M]+ 125.08351 126.1
[M]- 125.08461 126.1
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