CID 8112

N-(2-hydroxyethyl)ethylenediamine

Structural Information

Molecular Formula
C4H12N2O
SMILES
C(CNCCO)N
InChI
InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2
InChIKey
LHIJANUOQQMGNT-UHFFFAOYSA-N
Compound name
2-(2-aminoethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

32
References

47568
Patents

104.09496 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.10224 119.9
[M+Na]+ 127.08418 127.9
[M+NH4]+ 122.12878 127.4
[M+K]+ 143.05812 123.3
[M-H]- 103.08768 119.8
[M+Na-2H]- 125.06963 123.4
[M]+ 104.09441 120.5
[M]- 104.09551 120.5
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