CID 9556224

Nsc678086

Structural Information

Molecular Formula
C9H15N3O6
SMILES
C(C#N)C(=O)N/N=C/C(C(C(C(CO)O)O)O)O
InChI
InChI=1S/C9H15N3O6/c10-2-1-7(16)12-11-3-5(14)8(17)9(18)6(15)4-13/h3,5-6,8-9,13-15,17-18H,1,4H2,(H,12,16)/b11-3+
InChIKey
QFDYSWLUIKTWIM-QDEBKDIKSA-N
Compound name
2-cyano-N-[(E)-2,3,4,5,6-pentahydroxyhexylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0961 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10338 160.6
[M+Na]+ 284.08532 163.7
[M-H]- 260.08882 155.6
[M+NH4]+ 279.12992 171.5
[M+K]+ 300.05926 164.9
[M+H-H2O]+ 244.09336 148.0
[M+HCOO]- 306.09430 173.2
[M+CH3COO]- 320.10995 203.6
[M+Na-2H]- 282.07077 158.3
[M]+ 261.09555 152.4
[M]- 261.09665 152.4
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.