CID 98837

54420-11-0

Structural Information

Molecular Formula
C9H10N4O6
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=C(CO)CO
InChI
InChI=1S/C9H10N4O6/c14-4-6(5-15)10-11-8-2-1-7(12(16)17)3-9(8)13(18)19/h1-3,11,14-15H,4-5H2
InChIKey
QPDZOBBTPQNZPW-UHFFFAOYSA-N
Compound name
2-[(2,4-dinitrophenyl)hydrazinylidene]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.06003 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06731 163.2
[M+Na]+ 293.04925 168.9
[M+NH4]+ 288.09385 171.6
[M+K]+ 309.02319 178.0
[M-H]- 269.05275 158.6
[M+Na-2H]- 291.03470 160.9
[M]+ 270.05948 164.6
[M]- 270.06058 164.6
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.