CID 93971449

4093-65-6

Structural Information

Molecular Formula
C10H10N4O6
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N/N=C\CCC(=O)O
InChI
InChI=1S/C10H10N4O6/c15-10(16)2-1-5-11-12-8-4-3-7(13(17)18)6-9(8)14(19)20/h3-6,12H,1-2H2,(H,15,16)/b11-5-
InChIKey
XIQVJSLOJWLIKA-WZUFQYTHSA-N
Compound name
(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.06003 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06731 156.6
[M+Na]+ 305.04925 160.4
[M-H]- 281.05275 159.9
[M+NH4]+ 300.09385 194.8
[M+K]+ 321.02319 150.9
[M+H-H2O]+ 265.05729 157.7
[M+HCOO]- 327.05823 207.7
[M+CH3COO]- 341.07388 191.7
[M+Na-2H]- 303.03470 164.9
[M]+ 282.05948 153.6
[M]- 282.06058 153.6
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.