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
2
Annotation Hits

0
References

26
Patents

209.08994 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09722 146.0
[M+Na]+ 232.07916 148.6
[M-H]- 208.08266 138.9
[M+NH4]+ 227.12376 160.2
[M+K]+ 248.05310 148.2
[M+H-H2O]+ 192.08720 140.6
[M+HCOO]- 254.08814 160.3
[M+CH3COO]- 268.10379 178.4
[M+Na-2H]- 230.06461 144.9
[M]+ 209.08939 142.5
[M]- 209.09049 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