CID 137321860

89805-40-3

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]+ 217.06078 145.5
[M+Na]+ 239.04272 152.7
[M-H]- 215.04622 150.4
[M+NH4]+ 234.08732 161.8
[M+K]+ 255.01666 149.6
[M+H-H2O]+ 199.05076 138.6
[M+HCOO]- 261.05170 166.5
[M+CH3COO]- 275.06735 184.2
[M+Na-2H]- 237.02817 148.9
[M]+ 216.05295 141.6
[M]- 216.05405 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.