CID 171047

51475-16-2

Structural Information

Molecular Formula
C16H21N2
SMILES
CCN(CC[N+]1=CC=CC=C1)C2=CC=CC(=C2)C
InChI
InChI=1S/C16H21N2/c1-3-18(16-9-7-8-15(2)14-16)13-12-17-10-5-4-6-11-17/h4-11,14H,3,12-13H2,1-2H3/q+1
InChIKey
KAHZLASWIIUZTM-UHFFFAOYSA-N
Compound name
N-ethyl-3-methyl-N-(2-pyridin-1-ium-1-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

241.17047 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17775 159.4
[M+Na]+ 264.15969 165.2
[M-H]- 240.16319 165.9
[M+NH4]+ 259.20429 175.5
[M+K]+ 280.13363 156.5
[M+H-H2O]+ 224.16773 153.1
[M+HCOO]- 286.16867 183.0
[M+CH3COO]- 300.18432 193.6
[M+Na-2H]- 262.14514 167.5
[M]+ 241.16992 159.4
[M]- 241.17102 159.4
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

patents stripe