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 150.0
[M+Na]+ 253.18865 155.5
[M-H]- 229.19215 153.6
[M+NH4]+ 248.23325 170.7
[M+K]+ 269.16259 144.7
[M+H-H2O]+ 213.19669 150.4
[M+HCOO]- 275.19763 169.6
[M+CH3COO]- 289.21328 182.8
[M+Na-2H]- 251.17410 158.9
[M]+ 230.19888 148.4
[M]- 230.19998 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