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

15
Patents

216.06656 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.073836 148.0
[M+Na]+ 239.055778 156.6
[M-H]- 215.059284 151.3
[M+NH4]+ 234.100383 166.7
[M+K]+ 255.029718 154.9
[M+H-H2O]+ 199.063820 142.6
[M+HCOO]- 261.064761 165.5
[M+CH3COO]- 275.080411 186.8
[M+Na-2H]- 237.041226 153.3
[M]+ 216.06601142 152.0
[M]- 216.06710858 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