CID 9570874

Crotonic acid, 3-methyl-, (5-nitrofurfurylidene)hydrazide

Structural Information

Molecular Formula
C10H11N3O4
SMILES
CC(=CC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-])C
InChI
InChI=1S/C10H11N3O4/c1-7(2)5-9(14)12-11-6-8-3-4-10(17-8)13(15)16/h3-6H,1-2H3,(H,12,14)/b11-6+
InChIKey
ZLBFYFFLCBTXKJ-IZZDOVSWSA-N
Compound name
3-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07495 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.082226 152.9
[M+Na]+ 260.064168 158.3
[M-H]- 236.067674 158.5
[M+NH4]+ 255.108773 169.9
[M+K]+ 276.038108 154.2
[M+H-H2O]+ 220.072210 150.6
[M+HCOO]- 282.073151 180.4
[M+CH3COO]- 296.088801 189.8
[M+Na-2H]- 258.049616 158.6
[M]+ 237.07440142 152.8
[M]- 237.07549858 152.8
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.