CID 479966

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxymethyl]pyrrolidine

Structural Information

Molecular Formula
C17H35NO6
SMILES
COCCOCCOCCN1CCCC1COCCOCCOC
InChI
InChI=1S/C17H35NO6/c1-19-8-10-22-13-12-21-7-6-18-5-3-4-17(18)16-24-15-14-23-11-9-20-2/h17H,3-16H2,1-2H3
InChIKey
CURMPMNYAZPUAP-UHFFFAOYSA-N
Compound name
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxymethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

349.24643 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.25371 185.1
[M+Na]+ 372.23565 187.1
[M-H]- 348.23915 184.9
[M+NH4]+ 367.28025 198.4
[M+K]+ 388.20959 187.1
[M+H-H2O]+ 332.24369 176.5
[M+HCOO]- 394.24463 204.7
[M+CH3COO]- 408.26028 211.7
[M+Na-2H]- 370.22110 184.7
[M]+ 349.24588 195.3
[M]- 349.24698 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe