CID 61929

2-[(hydroxymethyl)amino]ethanol

Structural Information

Molecular Formula
C3H9NO2
SMILES
C(CO)NCO
InChI
InChI=1S/C3H9NO2/c5-2-1-4-3-6/h4-6H,1-3H2
InChIKey
NWPCFCBFUXXJIE-UHFFFAOYSA-N
Compound name
2-(hydroxymethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2189
Patents

91.06333 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.070606 116.2
[M+Na]+ 114.05255 122.9
[M-H]- 90.056054 114.0
[M+NH4]+ 109.09715 138.2
[M+K]+ 130.02649 122.4
[M+H-H2O]+ 74.060590 112.0
[M+HCOO]- 136.06153 139.4
[M+CH3COO]- 150.07718 161.5
[M+Na-2H]- 112.03800 124.0
[M]+ 91.062781 114.6
[M]- 91.063879 114.6
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