CID 22787936

84540-49-8

Structural Information

Molecular Formula
C10H23NO7
SMILES
C(CO)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C10H23NO7/c12-3-1-11(2-4-13)5-7(15)9(17)10(18)8(16)6-14/h7-10,12-18H,1-6H2/t7-,8+,9+,10+/m0/s1
InChIKey
UURSKAGLHMBPNT-SGIHWFKDSA-N
Compound name
(2R,3R,4R,5S)-6-[bis(2-hydroxyethyl)amino]hexane-1,2,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

269.14746 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.154736 162.9
[M+Na]+ 292.136678 163.1
[M-H]- 268.140184 153.8
[M+NH4]+ 287.181283 173.8
[M+K]+ 308.110618 163.3
[M+H-H2O]+ 252.144720 156.9
[M+HCOO]- 314.145661 173.8
[M+CH3COO]- 328.161311 189.5
[M+Na-2H]- 290.122126 158.7
[M]+ 269.14691142 160.2
[M]- 269.14800858 160.2
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