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 151.5
[M+Na]+ 293.04925 155.1
[M-H]- 269.05275 153.7
[M+NH4]+ 288.09385 163.9
[M+K]+ 309.02319 145.6
[M+H-H2O]+ 253.05729 153.1
[M+HCOO]- 315.05823 177.2
[M+CH3COO]- 329.07388 187.2
[M+Na-2H]- 291.03470 160.0
[M]+ 270.05948 147.1
[M]- 270.06058 147.1
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.