CID 40560

Mannitol, 1,6-dipiperidino-, d-, dihydrochloride

Structural Information

Molecular Formula
C16H32N2O4
SMILES
C1CCN(CC1)CC(C(C(C(CN2CCCCC2)O)O)O)O
InChI
InChI=1S/C16H32N2O4/c19-13(11-17-7-3-1-4-8-17)15(21)16(22)14(20)12-18-9-5-2-6-10-18/h13-16,19-22H,1-12H2
InChIKey
TUDVEWWKHHOICT-UHFFFAOYSA-N
Compound name
1,6-di(piperidin-1-yl)hexane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2362 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24348 178.9
[M+Na]+ 339.22542 175.2
[M-H]- 315.22892 174.2
[M+NH4]+ 334.27002 186.2
[M+K]+ 355.19936 173.1
[M+H-H2O]+ 299.23346 170.3
[M+HCOO]- 361.23440 182.0
[M+CH3COO]- 375.25005 198.0
[M+Na-2H]- 337.21087 173.7
[M]+ 316.23565 167.1
[M]- 316.23675 167.1
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.