CID 137321860

Brn 3546162

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1=CC=C(C=C1)C(=O)/C=C/2\C(=O)NC(=N)O2
InChI
InChI=1S/C11H8N2O3/c12-11-13-10(15)9(16-11)6-8(14)7-4-2-1-3-5-7/h1-6H,(H2,12,13,15)/b9-6+
InChIKey
JKUCUGXJJULEAH-RMKNXTFCSA-N
Compound name
(5E)-2-imino-5-phenacylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0535 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.060776 145.5
[M+Na]+ 239.042718 152.7
[M-H]- 215.046224 150.4
[M+NH4]+ 234.087323 161.8
[M+K]+ 255.016658 149.6
[M+H-H2O]+ 199.050760 138.6
[M+HCOO]- 261.051701 166.5
[M+CH3COO]- 275.067351 184.2
[M+Na-2H]- 237.028166 148.9
[M]+ 216.05295142 141.6
[M]- 216.05404858 141.6
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.