CID 118261

1-benzyl-1-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)piperidinium bromide

Structural Information

Molecular Formula
C25H40NO
SMILES
CC1(C2CCCC1C2CCOCC[N+]3(CCCCC3)CC4=CC=CC=C4)C
InChI
InChI=1S/C25H40NO/c1-25(2)23-12-9-13-24(25)22(23)14-18-27-19-17-26(15-7-4-8-16-26)20-21-10-5-3-6-11-21/h3,5-6,10-11,22-24H,4,7-9,12-20H2,1-2H3/q+1
InChIKey
XPFVRHOGCVRQAK-UHFFFAOYSA-N
Compound name
1-benzyl-1-[2-[2-(7,7-dimethyl-6-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.311 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.31828 195.8
[M+Na]+ 393.30022 196.5
[M-H]- 369.30372 200.7
[M+NH4]+ 388.34482 205.1
[M+K]+ 409.27416 188.6
[M+H-H2O]+ 353.30826 183.5
[M+HCOO]- 415.30920 205.5
[M+CH3COO]- 429.32485 215.6
[M+Na-2H]- 391.28567 198.5
[M]+ 370.31045 199.1
[M]- 370.31155 199.1
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.