CID 75982

2752-17-2

Structural Information

Molecular Formula
C4H12N2O
SMILES
C(COCCN)N
InChI
InChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2
InChIKey
GXVUZYLYWKWJIM-UHFFFAOYSA-N
Compound name
2-(2-aminoethoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

14427
Patents

104.09496 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.10224 120.7
[M+Na]+ 127.08418 127.0
[M-H]- 103.08768 120.1
[M+NH4]+ 122.12878 142.7
[M+K]+ 143.05812 126.9
[M+H-H2O]+ 87.092220 115.6
[M+HCOO]- 149.09316 146.1
[M+CH3COO]- 163.10881 171.4
[M+Na-2H]- 125.06963 127.1
[M]+ 104.09441 118.9
[M]- 104.09551 118.9
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