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
1
Annotation Hits

0
References

175
Patents

165.10011 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10739 136.2
[M+Na]+ 188.08933 141.0
[M-H]- 164.09283 130.8
[M+NH4]+ 183.13393 153.6
[M+K]+ 204.06327 139.3
[M+H-H2O]+ 148.09737 131.9
[M+HCOO]- 210.09831 154.2
[M+CH3COO]- 224.11396 170.4
[M+Na-2H]- 186.07478 142.1
[M]+ 165.09956 134.2
[M]- 165.10066 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