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]+ 166.10739 137.3
[M+Na]+ 188.08933 141.2
[M-H]- 164.09283 131.7
[M+NH4]+ 183.13393 154.5
[M+K]+ 204.06327 140.2
[M+H-H2O]+ 148.09737 132.3
[M+HCOO]- 210.09831 154.9
[M+CH3COO]- 224.11396 171.9
[M+Na-2H]- 186.07478 139.7
[M]+ 165.09956 134.5
[M]- 165.10066 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