CID 18183743

Ns00054970

Structural Information

Molecular Formula
C4H11NO2
SMILES
CC(NC(C)O)O
InChI
InChI=1S/C4H11NO2/c1-3(6)5-4(2)7/h3-7H,1-2H3
InChIKey
TVQPFKYZTLIICE-UHFFFAOYSA-N
Compound name
1-(1-hydroxyethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

24805
Patents

105.07898 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.086256 122.3
[M+Na]+ 128.068198 128.1
[M-H]- 104.071704 120.1
[M+NH4]+ 123.112803 143.5
[M+K]+ 144.042138 128.3
[M+H-H2O]+ 88.076240 118.0
[M+HCOO]- 150.077181 143.1
[M+CH3COO]- 164.092831 166.3
[M+Na-2H]- 126.053646 126.8
[M]+ 105.07843142 119.6
[M]- 105.07952858 119.6
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