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

2
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

patents stripe