CID 55250256

Chembl2111012

Structural Information

Molecular Formula
C8H12N2O3
SMILES
C/C(=C/C(=O)C)/N[C@@H]1CONC1=O
InChI
InChI=1S/C8H12N2O3/c1-5(3-6(2)11)9-7-4-13-10-8(7)12/h3,7,9H,4H2,1-2H3,(H,10,12)/b5-3-/t7-/m1/s1
InChIKey
DGYLXKOLHICICX-YSCPKTQFSA-N
Compound name
(4R)-4-[[(Z)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.0848 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09208 141.1
[M+Na]+ 207.07402 146.6
[M-H]- 183.07752 142.2
[M+NH4]+ 202.11862 158.7
[M+K]+ 223.04796 146.0
[M+H-H2O]+ 167.08206 134.9
[M+HCOO]- 229.08300 160.2
[M+CH3COO]- 243.09865 179.9
[M+Na-2H]- 205.05947 143.1
[M]+ 184.08425 138.0
[M]- 184.08535 138.0
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

No patent data available for this compound.