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]+ 199.10773 143.5
[M+Na]+ 221.08967 151.3
[M-H]- 197.09317 145.6
[M+NH4]+ 216.13427 161.2
[M+K]+ 237.06361 150.6
[M+H-H2O]+ 181.09771 137.3
[M+HCOO]- 243.09865 165.0
[M+CH3COO]- 257.11430 184.3
[M+Na-2H]- 219.07512 146.1
[M]+ 198.09990 144.8
[M]- 198.10100 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.