CID 4962364

668980-81-2

Structural Information

Molecular Formula
C9H13ClN2O2
SMILES
CC(C)(C)C1=NOC(=C1)NC(=O)CCl
InChI
InChI=1S/C9H13ClN2O2/c1-9(2,3)6-4-8(14-12-6)11-7(13)5-10/h4H,5H2,1-3H3,(H,11,13)
InChIKey
MLGBUUNDROWYJV-UHFFFAOYSA-N
Compound name
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

216.06656 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07384 148.0
[M+Na]+ 239.05578 156.6
[M-H]- 215.05928 151.3
[M+NH4]+ 234.10038 166.7
[M+K]+ 255.02972 154.9
[M+H-H2O]+ 199.06382 142.6
[M+HCOO]- 261.06476 165.5
[M+CH3COO]- 275.08041 186.8
[M+Na-2H]- 237.04123 153.3
[M]+ 216.06601 152.0
[M]- 216.06711 152.0
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