CID 89209

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

Structural Information

Molecular Formula
C5H13NO2
SMILES
CCNCC(CO)O
InChI
InChI=1S/C5H13NO2/c1-2-6-3-5(8)4-7/h5-8H,2-4H2,1H3
InChIKey
DHWUBIRULANTFI-UHFFFAOYSA-N
Compound name
3-(ethylamino)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

119.09463 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.10191 124.7
[M+Na]+ 142.08385 132.7
[M+NH4]+ 137.12845 131.7
[M+K]+ 158.05779 128.9
[M-H]- 118.08735 123.2
[M+Na-2H]- 140.06930 127.2
[M]+ 119.09408 125.0
[M]- 119.09518 125.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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