CID 468939

127692-20-0

Structural Information

Molecular Formula
C9H11N3O4
SMILES
C=CCOCC1CN2C=C(N=C2O1)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O4/c1-2-3-15-6-7-4-11-5-8(12(13)14)10-9(11)16-7/h2,5,7H,1,3-4,6H2
InChIKey
JDIQKEYNOXNIMJ-UHFFFAOYSA-N
Compound name
6-nitro-2-(prop-2-enoxymethyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.07495 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08223 147.8
[M+Na]+ 248.06417 155.5
[M-H]- 224.06767 150.6
[M+NH4]+ 243.10877 165.6
[M+K]+ 264.03811 151.0
[M+H-H2O]+ 208.07221 145.7
[M+HCOO]- 270.07315 170.3
[M+CH3COO]- 284.08880 181.8
[M+Na-2H]- 246.04962 154.4
[M]+ 225.07440 149.3
[M]- 225.07550 149.3
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.