CID 5362264

98550-30-2

Structural Information

Molecular Formula
C7H6N4O4
SMILES
C1=C(OC(=C1)[N+](=O)[O-])NNC(=O)CC#N
InChI
InChI=1S/C7H6N4O4/c8-4-3-5(12)9-10-6-1-2-7(15-6)11(13)14/h1-2,10H,3H2,(H,9,12)
InChIKey
RHPNFMGVTCMZSB-UHFFFAOYSA-N
Compound name
2-cyano-N'-(5-nitrofuran-2-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.03891 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.04619 147.0
[M+Na]+ 233.02813 154.3
[M-H]- 209.03163 150.3
[M+NH4]+ 228.07273 162.1
[M+K]+ 249.00207 150.6
[M+H-H2O]+ 193.03617 137.3
[M+HCOO]- 255.03711 170.0
[M+CH3COO]- 269.05276 194.2
[M+Na-2H]- 231.01358 153.7
[M]+ 210.03836 140.8
[M]- 210.03946 140.8
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.