CID 118253

4-benzyl-4-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)morpholinium bromide

Structural Information

Molecular Formula
C24H38NO2
SMILES
CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC=CC=C4)C
InChI
InChI=1S/C24H38NO2/c1-24(2)22-9-8-21(23(24)18-22)10-14-26-15-11-25(12-16-27-17-13-25)19-20-6-4-3-5-7-20/h3-7,21-23H,8-19H2,1-2H3/q+1
InChIKey
VJFDMWSELFMHMO-UHFFFAOYSA-N
Compound name
4-benzyl-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.29025 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.29753 195.6
[M+Na]+ 395.27947 195.8
[M-H]- 371.28297 197.7
[M+NH4]+ 390.32407 206.0
[M+K]+ 411.25341 190.0
[M+H-H2O]+ 355.28751 183.2
[M+HCOO]- 417.28845 200.5
[M+CH3COO]- 431.30410 217.3
[M+Na-2H]- 393.26492 202.7
[M]+ 372.28970 203.6
[M]- 372.29080 203.6
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.