CID 135538369

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

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]+ 180.07675 137.9
[M+Na]+ 202.05869 147.3
[M+NH4]+ 197.10329 144.8
[M+K]+ 218.03263 146.4
[M-H]- 178.06219 140.3
[M+Na-2H]- 200.04414 142.5
[M]+ 179.06892 139.4
[M]- 179.07002 139.4
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.