CID 218664

41040-78-2

Structural Information

Molecular Formula
C20H38N2O4
SMILES
CC1(OCC(O1)C[N+]2(CCCC2)C)CCC(=O)OCC[N+]3(CCCC3)C
InChI
InChI=1S/C20H38N2O4/c1-20(25-17-18(26-20)16-22(3)12-6-7-13-22)9-8-19(23)24-15-14-21(2)10-4-5-11-21/h18H,4-17H2,1-3H3/q+2
InChIKey
ZZNCKBJWVWARAE-UHFFFAOYSA-N
Compound name
2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 3-[2-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.28317 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.29045 185.3
[M+Na]+ 393.27239 194.3
[M+NH4]+ 388.31699 196.9
[M+K]+ 409.24633 191.1
[M-H]- 369.27589 192.0
[M+Na-2H]- 391.25784 191.5
[M]+ 370.28262 189.3
[M]- 370.28372 189.3
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.