CID 10702193

2-[(1,3-dihydroxypropan-2-yl)amino]propane-1,3-diol

Structural Information

Molecular Formula
C6H15NO4
SMILES
C(C(CO)NC(CO)CO)O
InChI
InChI=1S/C6H15NO4/c8-1-5(2-9)7-6(3-10)4-11/h5-11H,1-4H2
InChIKey
UDAOBXRAGBHTNS-UHFFFAOYSA-N
Compound name
2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

165.10011 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.107386 137.3
[M+Na]+ 188.089328 141.2
[M-H]- 164.092834 131.7
[M+NH4]+ 183.133933 154.5
[M+K]+ 204.063268 140.2
[M+H-H2O]+ 148.097370 132.3
[M+HCOO]- 210.098311 154.9
[M+CH3COO]- 224.113961 171.9
[M+Na-2H]- 186.074776 139.7
[M]+ 165.09956142 134.5
[M]- 165.10065858 134.5
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

patents stripe