CID 112419

1,2-di(hydroxymethylamino)ethane

Structural Information

Molecular Formula
C4H12N2O2
SMILES
C(CNCO)NCO
InChI
InChI=1S/C4H12N2O2/c7-3-5-1-2-6-4-8/h5-8H,1-4H2
InChIKey
HUKGOLYOCFANQI-UHFFFAOYSA-N
Compound name
[2-(hydroxymethylamino)ethylamino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

120.089874 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.09715 123.6
[M+Na]+ 143.07909 129.0
[M-H]- 119.08260 121.1
[M+NH4]+ 138.12370 143.9
[M+K]+ 159.05303 128.2
[M+H-H2O]+ 103.08713 118.6
[M+HCOO]- 165.08808 147.5
[M+CH3COO]- 179.10372 169.7
[M+Na-2H]- 141.06454 131.1
[M]+ 120.08933 121.5
[M]- 120.09042 121.5
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