CID 135538369

2-oxazolidone, 3-(pyrrol-2-ylmethyleneamino)-

Structural Information

Molecular Formula
C8H9N3O2
SMILES
C1COC(=O)N1/N=C/C2=CC=CN2
InChI
InChI=1S/C8H9N3O2/c12-8-11(4-5-13-8)10-6-7-2-1-3-9-7/h1-3,6,9H,4-5H2/b10-6+
InChIKey
QWOQJUYHYZFKOW-UXBLZVDNSA-N
Compound name
3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06947 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.076746 135.7
[M+Na]+ 202.058688 143.2
[M-H]- 178.062194 140.5
[M+NH4]+ 197.103293 154.6
[M+K]+ 218.032628 142.3
[M+H-H2O]+ 162.066730 128.1
[M+HCOO]- 224.067671 159.0
[M+CH3COO]- 238.083321 178.0
[M+Na-2H]- 200.044136 140.2
[M]+ 179.06892142 134.0
[M]- 179.07001858 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.