CID 81798

7343-51-3

Structural Information

Molecular Formula
C6H15NO4
SMILES
C(CO)NC(CO)(CO)CO
InChI
InChI=1S/C6H15NO4/c8-2-1-7-6(3-9,4-10)5-11/h7-11H,1-5H2
InChIKey
OTWJRAWXTDGSDT-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylamino)-2-(hydroxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

162
Patents

165.10011 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.107386 136.2
[M+Na]+ 188.089328 141.0
[M-H]- 164.092834 130.8
[M+NH4]+ 183.133933 153.6
[M+K]+ 204.063268 139.3
[M+H-H2O]+ 148.097370 131.9
[M+HCOO]- 210.098311 154.2
[M+CH3COO]- 224.113961 170.4
[M+Na-2H]- 186.074776 142.1
[M]+ 165.09956142 134.2
[M]- 165.10065858 134.2
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