CID 147902478

2-tert-butyl-5-iodo-1,3-oxazole

Structural Information

Molecular Formula
C7H10INO
SMILES
CC(C)(C)C1=NC=C(O1)I
InChI
InChI=1S/C7H10INO/c1-7(2,3)6-9-4-5(8)10-6/h4H,1-3H3
InChIKey
IENRDJSFPWITMD-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-iodo-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.98071 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.98799 137.7
[M+Na]+ 273.96993 140.1
[M-H]- 249.97343 134.2
[M+NH4]+ 269.01453 153.9
[M+K]+ 289.94387 146.0
[M+H-H2O]+ 233.97797 129.1
[M+HCOO]- 295.97891 154.8
[M+CH3COO]- 309.99456 182.6
[M+Na-2H]- 271.95538 132.9
[M]+ 250.98016 137.4
[M]- 250.98126 137.4
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