CID 3063693

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

Structural Information

Molecular Formula
C22H43N2
SMILES
C[N+]1(CCCCC1)CCN(CC2CCCCC2)CC3CCCCC3
InChI
InChI=1S/C22H43N2/c1-24(16-9-4-10-17-24)18-15-23(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22/h21-22H,2-20H2,1H3/q+1
InChIKey
UUULKOZLPGKLJV-UHFFFAOYSA-N
Compound name
N,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.34262 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.34990 190.2
[M+Na]+ 358.33184 184.9
[M-H]- 334.33534 195.0
[M+NH4]+ 353.37644 202.6
[M+K]+ 374.30578 176.2
[M+H-H2O]+ 318.33988 181.5
[M+HCOO]- 380.34082 199.6
[M+CH3COO]- 394.35647 209.0
[M+Na-2H]- 356.31729 189.5
[M]+ 335.34207 175.7
[M]- 335.34317 175.7
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.