CID 37243

Benzyldiethyl(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)ammonium bromide

Structural Information

Molecular Formula
C24H40NO
SMILES
CC[N+](CC)(CCOCCC1CCC2CC1C2(C)C)CC3=CC=CC=C3
InChI
InChI=1S/C24H40NO/c1-5-25(6-2,19-20-10-8-7-9-11-20)15-17-26-16-14-21-12-13-22-18-23(21)24(22,3)4/h7-11,21-23H,5-6,12-19H2,1-4H3/q+1
InChIKey
GTAXYUINBDOTKI-UHFFFAOYSA-N
Compound name
benzyl-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]-diethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.311 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.31828 202.8
[M+Na]+ 381.30022 203.2
[M-H]- 357.30372 204.3
[M+NH4]+ 376.34482 215.4
[M+K]+ 397.27416 197.1
[M+H-H2O]+ 341.30826 193.0
[M+HCOO]- 403.30920 213.0
[M+CH3COO]- 417.32485 223.6
[M+Na-2H]- 379.28567 210.4
[M]+ 358.31045 215.4
[M]- 358.31155 215.4
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

No patent data available for this compound.