CID 12458288

2-(2-{[2-(2-hydroxyethoxy)ethyl]methylamino}ethoxy)ethan-1-ol

Structural Information

Molecular Formula
C9H21NO4
SMILES
CN(CCOCCO)CCOCCO
InChI
InChI=1S/C9H21NO4/c1-10(2-6-13-8-4-11)3-7-14-9-5-12/h11-12H,2-9H2,1H3
InChIKey
NCZFAYAZKANRGN-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

207.14706 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.154336 148.7
[M+Na]+ 230.136278 152.9
[M-H]- 206.139784 146.8
[M+NH4]+ 225.180883 166.5
[M+K]+ 246.110218 153.3
[M+H-H2O]+ 190.144320 142.6
[M+HCOO]- 252.145261 170.9
[M+CH3COO]- 266.160911 187.3
[M+Na-2H]- 228.121726 152.6
[M]+ 207.14651142 153.5
[M]- 207.14760858 153.5
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.