CID 201018

4-(2-(dicyclohexylamino)ethyl)-4-methyl-morpholinium bromide

Structural Information

Molecular Formula
C19H37N2O
SMILES
C[N+]1(CCOCC1)CCN(C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C19H37N2O/c1-21(14-16-22-17-15-21)13-12-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h18-19H,2-17H2,1H3/q+1
InChIKey
PZLZQIAODOWTRP-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2906 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.29788 180.2
[M+Na]+ 332.27982 176.4
[M-H]- 308.28332 186.4
[M+NH4]+ 327.32442 192.5
[M+K]+ 348.25376 169.9
[M+H-H2O]+ 292.28786 172.1
[M+HCOO]- 354.28880 190.0
[M+CH3COO]- 368.30445 202.1
[M+Na-2H]- 330.26527 182.0
[M]+ 309.29005 166.8
[M]- 309.29115 166.8
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.