CID 37241

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

Structural Information

Molecular Formula
C20H38NO
SMILES
CC[N+](CC)(CCOCCC1CCC2CC1C2(C)C)CC=C
InChI
InChI=1S/C20H38NO/c1-6-12-21(7-2,8-3)13-15-22-14-11-17-9-10-18-16-19(17)20(18,4)5/h6,17-19H,1,7-16H2,2-5H3/q+1
InChIKey
UULMUOAJRGBHKM-UHFFFAOYSA-N
Compound name
2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl-diethyl-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.29535 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.30263 192.2
[M+Na]+ 331.28457 193.4
[M-H]- 307.28807 191.1
[M+NH4]+ 326.32917 207.2
[M+K]+ 347.25851 187.9
[M+H-H2O]+ 291.29261 185.0
[M+HCOO]- 353.29355 202.5
[M+CH3COO]- 367.30920 215.6
[M+Na-2H]- 329.27002 199.6
[M]+ 308.29480 205.3
[M]- 308.29590 205.3
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.