CID 50670

Cis-(cyclopropylenebis(2-carbonyloxyethyl))bis(trimethylammonium) diiodide

Structural Information

Molecular Formula
C15H30N2O4
SMILES
C[N+](C)(C)C(=O)OCC[C@H]1C[C@H]1CCOC(=O)[N+](C)(C)C
InChI
InChI=1S/C15H30N2O4/c1-16(2,3)14(18)20-9-7-12-11-13(12)8-10-21-15(19)17(4,5)6/h12-13H,7-11H2,1-6H3/q+2/t12-,13+
InChIKey
AFKGYZOXBWQJLK-BETUJISGSA-N
Compound name
trimethyl-[2-[(1S,2R)-2-[2-(trimethylazaniumyl)carbonyloxyethyl]cyclopropyl]ethoxycarbonyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22055 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.22783 194.7
[M+Na]+ 325.20977 202.4
[M+NH4]+ 320.25437 202.2
[M+K]+ 341.18371 206.4
[M-H]- 301.21327 188.6
[M+Na-2H]- 323.19522 171.8
[M]+ 302.22000 196.1
[M]- 302.22110 196.1
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.