CID 70250

1,11-diamino-3,6,9-trioxaundecane

Structural Information

Molecular Formula
C8H20N2O3
SMILES
C(COCCOCCOCCN)N
InChI
InChI=1S/C8H20N2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-10H2
InChIKey
NIQFAJBKEHPUAM-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1954
Patents

192.1474 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.154676 143.3
[M+Na]+ 215.136618 147.7
[M-H]- 191.140124 141.8
[M+NH4]+ 210.181223 161.6
[M+K]+ 231.110558 147.6
[M+H-H2O]+ 175.144660 136.8
[M+HCOO]- 237.145601 167.9
[M+CH3COO]- 251.161251 187.7
[M+Na-2H]- 213.122066 147.7
[M]+ 192.14685142 145.9
[M]- 192.14794858 145.9
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