CID 71513

Trepirium iodide

Structural Information

Molecular Formula
C12H26N2O2
SMILES
C[N+]1(CCCC1C(=O)OCC[N+](C)(C)C)C
InChI
InChI=1S/C12H26N2O2/c1-13(2,3)9-10-16-12(15)11-7-6-8-14(11,4)5/h11H,6-10H2,1-5H3/q+2
InChIKey
MHYPEAHIIJATIR-UHFFFAOYSA-N
Compound name
2-(1,1-dimethylpyrrolidin-1-ium-2-carbonyl)oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

393
Patents

230.19943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.206706 150.0
[M+Na]+ 253.188648 155.5
[M-H]- 229.192154 153.6
[M+NH4]+ 248.233253 170.7
[M+K]+ 269.162588 144.7
[M+H-H2O]+ 213.196690 150.4
[M+HCOO]- 275.197631 169.6
[M+CH3COO]- 289.213281 182.8
[M+Na-2H]- 251.174096 158.9
[M]+ 230.19888142 148.4
[M]- 230.19997858 148.4
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

patents stripe