CID 40566

Diethylamino-1,6 d-mannitol dihydrochloride

Structural Information

Molecular Formula
C14H32N2O4
SMILES
CCN(CC)CC(C(C(C(CN(CC)CC)O)O)O)O
InChI
InChI=1S/C14H32N2O4/c1-5-15(6-2)9-11(17)13(19)14(20)12(18)10-16(7-3)8-4/h11-14,17-20H,5-10H2,1-4H3
InChIKey
SRVHNRCDWMGJKJ-UHFFFAOYSA-N
Compound name
1,6-bis(diethylamino)hexane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2362 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.24348 177.8
[M+Na]+ 315.22542 177.6
[M-H]- 291.22892 174.0
[M+NH4]+ 310.27002 190.8
[M+K]+ 331.19936 178.9
[M+H-H2O]+ 275.23346 171.1
[M+HCOO]- 337.23440 192.9
[M+CH3COO]- 351.25005 209.7
[M+Na-2H]- 313.21087 172.4
[M]+ 292.23565 178.4
[M]- 292.23675 178.4
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.