CID 71810

Diponium bromide

Structural Information

Molecular Formula
C20H38NO2
SMILES
CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2
InChI
InChI=1S/C20H38NO2/c1-4-21(5-2,6-3)15-16-23-20(22)19(17-11-7-8-12-17)18-13-9-10-14-18/h17-19H,4-16H2,1-3H3/q+1
InChIKey
GDMZQNKKYVYOBJ-UHFFFAOYSA-N
Compound name
2-(2,2-dicyclopentylacetyl)oxyethyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

739
Patents

324.29025 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.29753 188.4
[M+Na]+ 347.27947 187.5
[M-H]- 323.28297 194.1
[M+NH4]+ 342.32407 205.5
[M+K]+ 363.25341 180.5
[M+H-H2O]+ 307.28751 184.0
[M+HCOO]- 369.28845 205.4
[M+CH3COO]- 383.30410 206.7
[M+Na-2H]- 345.26492 186.5
[M]+ 324.28970 185.0
[M]- 324.29080 185.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe