CID 24845614

102280-70-6

Structural Information

Molecular Formula
C21H40N2O4
SMILES
CC1(OCC(O1)C[N+]2(CCCC2)C)CCC3OCC(O3)C[N+]4(CCCC4)C
InChI
InChI=1S/C21H40N2O4/c1-21(25-17-19(27-21)15-23(3)12-6-7-13-23)9-8-20-24-16-18(26-20)14-22(2)10-4-5-11-22/h18-20H,4-17H2,1-3H3/q+2
InChIKey
BJCIVKVXRXPAJO-UHFFFAOYSA-N
Compound name
1-methyl-1-[[2-[2-[2-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2988 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.30608 187.0
[M+Na]+ 407.28802 188.2
[M-H]- 383.29152 197.6
[M+NH4]+ 402.33262 201.6
[M+K]+ 423.26196 180.1
[M+H-H2O]+ 367.29606 187.8
[M+HCOO]- 429.29700 196.5
[M+CH3COO]- 443.31265 202.6
[M+Na-2H]- 405.27347 187.8
[M]+ 384.29825 182.7
[M]- 384.29935 182.7
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.