CID 139595679

Ns00095437

Structural Information

Molecular Formula
C13H29NO6
SMILES
CN(CCO)CCOCCOCCOCCOCCO
InChI
InChI=1S/C13H29NO6/c1-14(2-4-15)3-6-17-8-10-19-12-13-20-11-9-18-7-5-16/h15-16H,2-13H2,1H3
InChIKey
JXSBSVPXQXOEEF-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1995 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.206776 170.4
[M+Na]+ 318.188718 172.6
[M-H]- 294.192224 167.6
[M+NH4]+ 313.233323 184.4
[M+K]+ 334.162658 173.2
[M+H-H2O]+ 278.196760 163.0
[M+HCOO]- 340.197701 191.7
[M+CH3COO]- 354.213351 203.3
[M+Na-2H]- 316.174166 172.5
[M]+ 295.19895142 179.6
[M]- 295.20004858 179.6
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.