CID 381106

Nsc667269

Structural Information

Molecular Formula
C7H6N2O4
SMILES
C=C(C1=CC=C(O1)[N+](=O)[O-])C(=O)N
InChI
InChI=1S/C7H6N2O4/c1-4(7(8)10)5-2-3-6(13-5)9(11)12/h2-3H,1H2,(H2,8,10)
InChIKey
FHULNCMQMNBXDP-UHFFFAOYSA-N
Compound name
2-(5-nitrofuran-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

182.03276 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04004 135.5
[M+Na]+ 205.02198 142.3
[M-H]- 181.02548 139.7
[M+NH4]+ 200.06658 154.1
[M+K]+ 220.99592 138.3
[M+H-H2O]+ 165.03002 134.5
[M+HCOO]- 227.03096 160.7
[M+CH3COO]- 241.04661 175.4
[M+Na-2H]- 203.00743 140.9
[M]+ 182.03221 133.3
[M]- 182.03331 133.3
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