CID 202012

7279-54-1

Structural Information

Molecular Formula
C13H24N2
SMILES
CC[N+](C)(CC)CCC1=CC=CC=[N+]1C
InChI
InChI=1S/C13H24N2/c1-5-15(4,6-2)12-10-13-9-7-8-11-14(13)3/h7-9,11H,5-6,10,12H2,1-4H3/q+2
InChIKey
ZCJNLFLPYOFCDS-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-(1-methylpyridin-1-ium-2-yl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.19395 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.20123 149.0
[M+Na]+ 231.18317 155.5
[M-H]- 207.18667 152.9
[M+NH4]+ 226.22777 167.0
[M+K]+ 247.15711 143.0
[M+H-H2O]+ 191.19121 147.8
[M+HCOO]- 253.19215 170.9
[M+CH3COO]- 267.20780 183.1
[M+Na-2H]- 229.16862 160.5
[M]+ 208.19340 149.0
[M]- 208.19450 149.0
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.