CID 50670

Ammonium, (cyclopropylenebis(2-carbonyloxyethyl))bis(trimethyl-, diiodide, (z)-

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-[(1R,2S)-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 153.8
[M+Na]+ 325.20977 160.1
[M-H]- 301.21327 161.0
[M+NH4]+ 320.25437 165.6
[M+K]+ 341.18371 149.3
[M+H-H2O]+ 285.21781 153.6
[M+HCOO]- 347.21875 175.5
[M+CH3COO]- 361.23440 203.2
[M+Na-2H]- 323.19522 163.9
[M]+ 302.22000 159.7
[M]- 302.22110 159.7
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.