CID 3304353

5-tert-butylisoxazole

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

920
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 124.2
[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

literature stripe

Patent stripe

patents stripe