CID 106604

Einecs 268-504-5

Structural Information

Molecular Formula
C9H22N2O3
SMILES
CN(C)CCOCCCN(CO)CO
InChI
InChI=1S/C9H22N2O3/c1-10(2)5-7-14-6-3-4-11(8-12)9-13/h12-13H,3-9H2,1-2H3
InChIKey
JUBIAYKRGCULNU-UHFFFAOYSA-N
Compound name
[3-[2-(dimethylamino)ethoxy]propyl-(hydroxymethyl)amino]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

206.16304 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.170316 150.1
[M+Na]+ 229.152258 153.7
[M-H]- 205.155764 149.7
[M+NH4]+ 224.196863 168.3
[M+K]+ 245.126198 155.0
[M+H-H2O]+ 189.160300 143.6
[M+HCOO]- 251.161241 173.6
[M+CH3COO]- 265.176891 193.7
[M+Na-2H]- 227.137706 153.4
[M]+ 206.16249142 153.9
[M]- 206.16358858 153.9
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.