CID 23009866

2-(2-aminoethyl)propane-1,3-diol

Structural Information

Molecular Formula
C5H13NO2
SMILES
C(CN)C(CO)CO
InChI
InChI=1S/C5H13NO2/c6-2-1-5(3-7)4-8/h5,7-8H,1-4,6H2
InChIKey
VTYBYCXLGOZQPN-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

119.09463 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.101906 126.6
[M+Na]+ 142.083848 132.3
[M-H]- 118.087354 123.6
[M+NH4]+ 137.128453 147.1
[M+K]+ 158.057788 131.4
[M+H-H2O]+ 102.091890 122.1
[M+HCOO]- 164.092831 147.5
[M+CH3COO]- 178.108481 167.9
[M+Na-2H]- 140.069296 130.9
[M]+ 119.09408142 124.0
[M]- 119.09517858 124.0
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