CID 37239

35690-05-2

Structural Information

Molecular Formula
C22H36NO
SMILES
CC1(C2CCC(C1C2)CCOCC[N+](C)(C)CC3=CC=CC=C3)C
InChI
InChI=1S/C22H36NO/c1-22(2)20-11-10-19(21(22)16-20)12-14-24-15-13-23(3,4)17-18-8-6-5-7-9-18/h5-9,19-21H,10-17H2,1-4H3/q+1
InChIKey
NESFBKCBOMADOO-UHFFFAOYSA-N
Compound name
benzyl-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.2797 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.28698 193.2
[M+Na]+ 353.26892 194.5
[M-H]- 329.27242 195.2
[M+NH4]+ 348.31352 207.0
[M+K]+ 369.24286 188.9
[M+H-H2O]+ 313.27696 183.8
[M+HCOO]- 375.27790 204.2
[M+CH3COO]- 389.29355 217.9
[M+Na-2H]- 351.25437 201.9
[M]+ 330.27915 205.2
[M]- 330.28025 205.2
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.