CID 9578604

Brn 0439234

Structural Information

Molecular Formula
C11H16N4O7
SMILES
C1=CC(=NC=C1[N+](=O)[O-])N/N=C/[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C11H16N4O7/c16-5-8(18)11(20)10(19)7(17)4-13-14-9-2-1-6(3-12-9)15(21)22/h1-4,7-8,10-11,16-20H,5H2,(H,12,14)/b13-4+/t7-,8+,10+,11+/m0/s1
InChIKey
ZJFDWNHNRQTPGT-COHOVORJSA-N
Compound name
(2R,3R,4R,5S,6E)-6-[(5-nitropyridin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1019 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10918 161.2
[M+Na]+ 339.09112 162.0
[M-H]- 315.09462 157.8
[M+NH4]+ 334.13572 169.1
[M+K]+ 355.06506 157.3
[M+H-H2O]+ 299.09916 157.8
[M+HCOO]- 361.10010 178.3
[M+CH3COO]- 375.11575 195.1
[M+Na-2H]- 337.07657 164.5
[M]+ 316.10135 155.9
[M]- 316.10245 155.9
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.