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]+ 176.08367 137.9
[M+Na]+ 198.06561 146.8
[M-H]- 174.06911 140.8
[M+NH4]+ 193.11021 158.6
[M+K]+ 214.03955 145.4
[M+H-H2O]+ 158.07365 133.2
[M+HCOO]- 220.07459 153.8
[M+CH3COO]- 234.09024 178.0
[M+Na-2H]- 196.05106 143.6
[M]+ 175.07584 140.7
[M]- 175.07694 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.