CID 44152736

93963-67-8

Structural Information

Molecular Formula
C9H21NO7
SMILES
C([C@H]([C@H]([C@@H]([C@H](COCC(CN)O)O)O)O)O)O
InChI
InChI=1S/C9H21NO7/c10-1-5(12)3-17-4-7(14)9(16)8(15)6(13)2-11/h5-9,11-16H,1-4,10H2/t5?,6-,7+,8-,9-/m1/s1
InChIKey
OASXZMKQBLHHMN-HFYYSOHNSA-N
Compound name
(2R,3R,4R,5S)-6-(3-amino-2-hydroxypropoxy)hexane-1,2,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1318 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.139076 158.8
[M+Na]+ 278.121018 159.5
[M-H]- 254.124524 149.4
[M+NH4]+ 273.165623 170.0
[M+K]+ 294.094958 159.6
[M+H-H2O]+ 238.129060 152.9
[M+HCOO]- 300.130001 169.4
[M+CH3COO]- 314.145651 186.2
[M+Na-2H]- 276.106466 154.0
[M]+ 255.13125142 154.7
[M]- 255.13234858 154.7
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.