CID 82578

10356-92-0

Structural Information

Molecular Formula
C7H16N2O6
SMILES
CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)N=O
InChI
InChI=1S/C7H16N2O6/c1-9(8-15)2-4(11)6(13)7(14)5(12)3-10/h4-7,10-14H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1
InChIKey
VLGVGLCWLGEFMR-BDVNFPICSA-N
Compound name
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

224.10083 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10811 148.6
[M+Na]+ 247.09005 151.1
[M+NH4]+ 242.13465 151.1
[M+K]+ 263.06399 153.0
[M-H]- 223.09355 143.3
[M+Na-2H]- 245.07550 146.2
[M]+ 224.10028 146.4
[M]- 224.10138 146.4
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

patents stripe