CID 3304353

5-tert-butyl-1,2-oxazole

Structural Information

Molecular Formula
C7H11NO
SMILES
CC(C)(C)C1=CC=NO1
InChI
InChI=1S/C7H11NO/c1-7(2,3)6-4-5-8-9-6/h4-5H,1-3H3
InChIKey
GOYSWVUGDCGCPI-UHFFFAOYSA-N
Compound name
5-tert-butyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

838
Patents

125.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 124.6
[M+Na]+ 148.07328 136.3
[M+NH4]+ 143.11788 133.1
[M+K]+ 164.04722 133.3
[M-H]- 124.07678 126.5
[M+Na-2H]- 146.05873 130.5
[M]+ 125.08351 126.8
[M]- 125.08461 126.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe