CID 469992

1,3-propanediol, 2,2'-[1,2-ethanediylbis(imino)]bis-

Structural Information

Molecular Formula
C8H20N2O4
SMILES
C(CNC(CO)CO)NC(CO)CO
InChI
InChI=1S/C8H20N2O4/c11-3-7(4-12)9-1-2-10-8(5-13)6-14/h7-14H,1-6H2
InChIKey
XNQYTQCBVKHYBF-UHFFFAOYSA-N
Compound name
2-[2-(1,3-dihydroxypropan-2-ylamino)ethylamino]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.1423 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.14958 148.5
[M+Na]+ 231.13152 150.6
[M-H]- 207.13502 142.4
[M+NH4]+ 226.17612 163.5
[M+K]+ 247.10546 149.2
[M+H-H2O]+ 191.13956 142.4
[M+HCOO]- 253.14050 166.4
[M+CH3COO]- 267.15615 183.3
[M+Na-2H]- 229.11697 150.2
[M]+ 208.14175 145.5
[M]- 208.14285 145.5
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.