CID 246221

Nsc58896

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CCC(C)C1=C(ONC1=O)NC(=O)C
InChI
InChI=1S/C9H14N2O3/c1-4-5(2)7-8(13)11-14-9(7)10-6(3)12/h5H,4H2,1-3H3,(H,10,12)(H,11,13)
InChIKey
BKKZQWHCQPAPDK-UHFFFAOYSA-N
Compound name
N-(4-butan-2-yl-3-oxo-1,2-oxazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10045 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 143.5
[M+Na]+ 221.089668 151.3
[M-H]- 197.093174 145.6
[M+NH4]+ 216.134273 161.2
[M+K]+ 237.063608 150.6
[M+H-H2O]+ 181.097710 137.3
[M+HCOO]- 243.098651 165.0
[M+CH3COO]- 257.114301 184.3
[M+Na-2H]- 219.075116 146.1
[M]+ 198.09990142 144.8
[M]- 198.10099858 144.8
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.