CID 84505

14532-32-2

Structural Information

Molecular Formula
C9H8N2O4
SMILES
CC1=C(C(=O)ON1)C=C2C(=NOC2=O)C
InChI
InChI=1S/C9H8N2O4/c1-4-6(8(12)14-10-4)3-7-5(2)11-15-9(7)13/h3,10H,1-2H3
InChIKey
MQOVAKQJAKULLB-UHFFFAOYSA-N
Compound name
3-methyl-4-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)methylidene]-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0484 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.055676 140.4
[M+Na]+ 231.037618 151.9
[M-H]- 207.041124 145.9
[M+NH4]+ 226.082223 157.4
[M+K]+ 247.011558 150.9
[M+H-H2O]+ 191.045660 134.9
[M+HCOO]- 253.046601 161.9
[M+CH3COO]- 267.062251 180.8
[M+Na-2H]- 229.023066 143.2
[M]+ 208.04785142 143.4
[M]- 208.04894858 143.4
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.