CID 40562

Dimorpholino-1,6 d-mannitol dihydrochloride

Structural Information

Molecular Formula
C14H28N2O6
SMILES
C1COCCN1CC(C(C(C(CN2CCOCC2)O)O)O)O
InChI
InChI=1S/C14H28N2O6/c17-11(9-15-1-5-21-6-2-15)13(19)14(20)12(18)10-16-3-7-22-8-4-16/h11-14,17-20H,1-10H2
InChIKey
VHOPKHXZVQHBKP-UHFFFAOYSA-N
Compound name
1,6-dimorpholin-4-ylhexane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.19473 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20201 176.9
[M+Na]+ 343.18395 174.1
[M-H]- 319.18745 174.0
[M+NH4]+ 338.22855 181.3
[M+K]+ 359.15789 175.3
[M+H-H2O]+ 303.19199 168.0
[M+HCOO]- 365.19293 179.3
[M+CH3COO]- 379.20858 197.3
[M+Na-2H]- 341.16940 174.3
[M]+ 320.19418 168.7
[M]- 320.19528 168.7
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.