CID 84650983

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

Structural Information

Molecular Formula
C7H10ClNO
SMILES
CC(C)(C)C1=CC(=NO1)Cl
InChI
InChI=1S/C7H10ClNO/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3
InChIKey
WCPFUBDCGNHGNE-UHFFFAOYSA-N
Compound name
5-tert-butyl-3-chloro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

159.04509 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05237 131.1
[M+Na]+ 182.03431 141.5
[M-H]- 158.03781 134.5
[M+NH4]+ 177.07891 152.6
[M+K]+ 198.00825 140.1
[M+H-H2O]+ 142.04235 126.6
[M+HCOO]- 204.04329 148.7
[M+CH3COO]- 218.05894 174.7
[M+Na-2H]- 180.01976 138.4
[M]+ 159.04454 135.0
[M]- 159.04564 135.0
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