CID 13983922

89182-60-5

Structural Information

Molecular Formula
C7H15NO6
SMILES
C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)NC=O
InChI
InChI=1S/C7H15NO6/c9-2-5(12)7(14)6(13)4(11)1-8-3-10/h3-7,9,11-14H,1-2H2,(H,8,10)/t4-,5+,6+,7+/m0/s1
InChIKey
ILXGPMLOFSWMBU-BDVNFPICSA-N
Compound name
N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]formamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

30
Patents

209.08994 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.097216 146.0
[M+Na]+ 232.079158 148.6
[M-H]- 208.082664 138.9
[M+NH4]+ 227.123763 160.2
[M+K]+ 248.053098 148.2
[M+H-H2O]+ 192.087200 140.6
[M+HCOO]- 254.088141 160.3
[M+CH3COO]- 268.103791 178.4
[M+Na-2H]- 230.064606 144.9
[M]+ 209.08939142 142.5
[M]- 209.09048858 142.5
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