CID 40564

Mannitol, 1,6-bis(dimethylamino)-, d-, dihydrochloride

Structural Information

Molecular Formula
C10H24N2O4
SMILES
CN(C)CC(C(C(C(CN(C)C)O)O)O)O
InChI
InChI=1S/C10H24N2O4/c1-11(2)5-7(13)9(15)10(16)8(14)6-12(3)4/h7-10,13-16H,5-6H2,1-4H3
InChIKey
SHCDPWLJZPTFDN-UHFFFAOYSA-N
Compound name
1,6-bis(dimethylamino)hexane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17361 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18089 159.6
[M+Na]+ 259.16283 161.0
[M-H]- 235.16633 156.5
[M+NH4]+ 254.20743 174.8
[M+K]+ 275.13677 163.2
[M+H-H2O]+ 219.17087 153.5
[M+HCOO]- 281.17181 176.0
[M+CH3COO]- 295.18746 197.9
[M+Na-2H]- 257.14828 156.2
[M]+ 236.17306 158.7
[M]- 236.17416 158.7
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.