CID 27075

Brn 0618013

Structural Information

Molecular Formula
C10H8N2O5
SMILES
CC1=C(C(=NO1)C2=CC=C(O2)[N+](=O)[O-])C(=O)C
InChI
InChI=1S/C10H8N2O5/c1-5(13)9-6(2)17-11-10(9)7-3-4-8(16-7)12(14)15/h3-4H,1-2H3
InChIKey
NMGLBZPNXPRERV-UHFFFAOYSA-N
Compound name
1-[5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.04332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05060 147.7
[M+Na]+ 259.03254 157.5
[M-H]- 235.03604 156.2
[M+NH4]+ 254.07714 164.3
[M+K]+ 275.00648 154.2
[M+H-H2O]+ 219.04058 146.5
[M+HCOO]- 281.04152 173.8
[M+CH3COO]- 295.05717 183.9
[M+Na-2H]- 257.01799 154.2
[M]+ 236.04277 152.5
[M]- 236.04387 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.