CID 82578

(2r,3r,4r,5s)-6-[methyl(nitroso)amino]hexane-1,2,3,4,5-pentol

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 148.4
[M+Na]+ 247.09005 150.8
[M-H]- 223.09355 144.2
[M+NH4]+ 242.13465 163.1
[M+K]+ 263.06399 152.9
[M+H-H2O]+ 207.09809 142.3
[M+HCOO]- 269.09903 165.9
[M+CH3COO]- 283.11468 189.3
[M+Na-2H]- 245.07550 147.6
[M]+ 224.10028 147.3
[M]- 224.10138 147.3
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