CID 200913

2933-17-7

Structural Information

Molecular Formula
C19H31N2O
SMILES
C[N+]1(CCOCC1)CCN(C2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C19H31N2O/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/h2,4-5,8-9,19H,3,6-7,10-17H2,1H3/q+1
InChIKey
PSGXKXZSGLCULS-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.24365 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.25093 176.3
[M+Na]+ 326.23287 175.6
[M-H]- 302.23637 183.7
[M+NH4]+ 321.27747 189.1
[M+K]+ 342.20681 168.4
[M+H-H2O]+ 286.24091 168.2
[M+HCOO]- 348.24185 190.5
[M+CH3COO]- 362.25750 200.9
[M+Na-2H]- 324.21832 181.2
[M]+ 303.24310 167.2
[M]- 303.24420 167.2
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.