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 135.7
[M+Na]+ 202.05869 143.2
[M-H]- 178.06219 140.5
[M+NH4]+ 197.10329 154.6
[M+K]+ 218.03263 142.3
[M+H-H2O]+ 162.06673 128.1
[M+HCOO]- 224.06767 159.0
[M+CH3COO]- 238.08332 178.0
[M+Na-2H]- 200.04414 140.2
[M]+ 179.06892 134.0
[M]- 179.07002 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.