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
1
Annotation Hits

4
References

35
Patents

230.19943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.20671 151.6
[M+Na]+ 253.18865 163.5
[M+NH4]+ 248.23325 162.3
[M+K]+ 269.16259 159.9
[M-H]- 229.19215 155.3
[M+Na-2H]- 251.17410 158.2
[M]+ 230.19888 155.0
[M]- 230.19998 155.0
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