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

129
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 126.2
[M+Na]+ 142.08385 131.8
[M-H]- 118.08735 123.8
[M+NH4]+ 137.12845 147.0
[M+K]+ 158.05779 131.3
[M+H-H2O]+ 102.09189 121.7
[M+HCOO]- 164.09283 147.8
[M+CH3COO]- 178.10848 168.5
[M+Na-2H]- 140.06930 131.6
[M]+ 119.09408 124.6
[M]- 119.09518 124.6
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

patents stripe