CID 64158080

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

Structural Information

Molecular Formula
C8H14ClNO
SMILES
CC(C)(C)C1=NOC(C1)CCl
InChI
InChI=1S/C8H14ClNO/c1-8(2,3)7-4-6(5-9)11-10-7/h6H,4-5H2,1-3H3
InChIKey
INXAKGGNNQAHGJ-UHFFFAOYSA-N
Compound name
3-tert-butyl-5-(chloromethyl)-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07639 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.083666 137.9
[M+Na]+ 198.065608 146.8
[M-H]- 174.069114 140.8
[M+NH4]+ 193.110213 158.6
[M+K]+ 214.039548 145.4
[M+H-H2O]+ 158.073650 133.2
[M+HCOO]- 220.074591 153.8
[M+CH3COO]- 234.090241 178.0
[M+Na-2H]- 196.051056 143.6
[M]+ 175.07584142 140.7
[M]- 175.07693858 140.7
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

No patent data available for this compound.