CID 9578603

Brn 0429170

Structural Information

Molecular Formula
C10H14N4O6
SMILES
C1=CC(=NC=C1[N+](=O)[O-])N/N=C/[C@@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C10H14N4O6/c15-5-8(17)10(18)7(16)4-12-13-9-2-1-6(3-11-9)14(19)20/h1-4,7-8,10,15-18H,5H2,(H,11,13)/b12-4+/t7-,8+,10-/m0/s1
InChIKey
IVRYQDMWRMBVKE-CKGMPIBFSA-N
Compound name
(2R,3S,4S,5E)-5-[(5-nitropyridin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09134 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09862 155.3
[M+Na]+ 309.08056 157.6
[M-H]- 285.08406 153.4
[M+NH4]+ 304.12516 165.3
[M+K]+ 325.05450 152.4
[M+H-H2O]+ 269.08860 152.1
[M+HCOO]- 331.08954 175.0
[M+CH3COO]- 345.10519 191.1
[M+Na-2H]- 307.06601 160.3
[M]+ 286.09079 150.8
[M]- 286.09189 150.8
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.