CID 199495

4269-87-8

Structural Information

Molecular Formula
C20H33N2
SMILES
C[N+]1(CCCCC1)CCN(C2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C20H33N2/c1-22(16-9-4-10-17-22)18-15-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2,5-6,11-12,20H,3-4,7-10,13-18H2,1H3/q+1
InChIKey
XNYZRYYRXQSIGD-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.26437 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.27165 177.4
[M+Na]+ 324.25359 176.2
[M-H]- 300.25709 184.0
[M+NH4]+ 319.29819 191.6
[M+K]+ 340.22753 167.2
[M+H-H2O]+ 284.26163 169.3
[M+HCOO]- 346.26257 192.0
[M+CH3COO]- 360.27822 201.9
[M+Na-2H]- 322.23904 181.0
[M]+ 301.26382 166.7
[M]- 301.26492 166.7
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.