CID 59033

101833-02-7

Structural Information

Molecular Formula
C11H12N2O6
SMILES
CC1(CC(C(=O)O1)NC(=O)C2=COC(=C2)[N+](=O)[O-])C
InChI
InChI=1S/C11H12N2O6/c1-11(2)4-7(10(15)19-11)12-9(14)6-3-8(13(16)17)18-5-6/h3,5,7H,4H2,1-2H3,(H,12,14)
InChIKey
LVFNBLBWBSMCHK-UHFFFAOYSA-N
Compound name
N-(5,5-dimethyl-2-oxooxolan-3-yl)-5-nitrofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06955 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07683 155.8
[M+Na]+ 291.05877 162.2
[M-H]- 267.06227 164.3
[M+NH4]+ 286.10337 173.5
[M+K]+ 307.03271 159.3
[M+H-H2O]+ 251.06681 156.0
[M+HCOO]- 313.06775 179.8
[M+CH3COO]- 327.08340 190.2
[M+Na-2H]- 289.04422 161.8
[M]+ 268.06900 156.5
[M]- 268.07010 156.5
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.