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
1
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]+ 207.17032 150.1
[M+Na]+ 229.15226 153.7
[M-H]- 205.15576 149.7
[M+NH4]+ 224.19686 168.3
[M+K]+ 245.12620 155.0
[M+H-H2O]+ 189.16030 143.6
[M+HCOO]- 251.16124 173.6
[M+CH3COO]- 265.17689 193.7
[M+Na-2H]- 227.13771 153.4
[M]+ 206.16249 153.9
[M]- 206.16359 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.