CID 3063255

1-(2-(cyclohexyl(cyclohexylmethyl)amino)ethyl)-1-methyl-piperidinium bromide

Structural Information

Molecular Formula
C21H41N2
SMILES
C[N+]1(CCCCC1)CCN(CC2CCCCC2)C3CCCCC3
InChI
InChI=1S/C21H41N2/c1-23(16-9-4-10-17-23)18-15-22(21-13-7-3-8-14-21)19-20-11-5-2-6-12-20/h20-21H,2-19H2,1H3/q+1
InChIKey
GRWHUHXBSXHIOW-UHFFFAOYSA-N
Compound name
N-(cyclohexylmethyl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.32697 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.33425 185.9
[M+Na]+ 344.31619 181.1
[M-H]- 320.31969 191.0
[M+NH4]+ 339.36079 198.9
[M+K]+ 360.29013 172.6
[M+H-H2O]+ 304.32423 177.4
[M+HCOO]- 366.32517 195.6
[M+CH3COO]- 380.34082 206.1
[M+Na-2H]- 342.30164 185.7
[M]+ 321.32642 171.1
[M]- 321.32752 171.1
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.