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

74
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.