CID 155858680

3-tert-butyl-5-(chloromethyl)-5-methyl-4,5-dihydro-1,2-oxazole

Structural Information

Molecular Formula
C9H16ClNO
SMILES
CC1(CC(=NO1)C(C)(C)C)CCl
InChI
InChI=1S/C9H16ClNO/c1-8(2,3)7-5-9(4,6-10)12-11-7/h5-6H2,1-4H3
InChIKey
JKVXXLNMTYZKPE-UHFFFAOYSA-N
Compound name
3-tert-butyl-5-(chloromethyl)-5-methyl-4H-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.09204 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09932 139.8
[M+Na]+ 212.08126 151.5
[M+NH4]+ 207.12586 149.6
[M+K]+ 228.05520 146.0
[M-H]- 188.08476 141.5
[M+Na-2H]- 210.06671 145.8
[M]+ 189.09149 142.4
[M]- 189.09259 142.4
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