CID 40564

52868-78-7

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]+ 237.180886 159.6
[M+Na]+ 259.162828 161.0
[M-H]- 235.166334 156.5
[M+NH4]+ 254.207433 174.8
[M+K]+ 275.136768 163.2
[M+H-H2O]+ 219.170870 153.5
[M+HCOO]- 281.171811 176.0
[M+CH3COO]- 295.187461 197.9
[M+Na-2H]- 257.148276 156.2
[M]+ 236.17306142 158.7
[M]- 236.17415858 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.