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 187.5
[M+Na]+ 393.27239 189.2
[M-H]- 369.27589 194.3
[M+NH4]+ 388.31699 204.0
[M+K]+ 409.24633 178.9
[M+H-H2O]+ 353.28043 186.6
[M+HCOO]- 415.28137 199.2
[M+CH3COO]- 429.29702 199.0
[M+Na-2H]- 391.25784 190.1
[M]+ 370.28262 184.1
[M]- 370.28372 184.1
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.