CID 51946

P-tolyltriethylammonium iodide

Structural Information

Molecular Formula
C13H22N
SMILES
CC[N+](CC)(CC)C1=CC=C(C=C1)C
InChI
InChI=1S/C13H22N/c1-5-14(6-2,7-3)13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H3/q+1
InChIKey
AKRUITQMOURRCL-UHFFFAOYSA-N
Compound name
triethyl-(4-methylphenyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

192.17523 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.18251 143.6
[M+Na]+ 215.16445 150.3
[M-H]- 191.16795 148.8
[M+NH4]+ 210.20905 164.1
[M+K]+ 231.13839 143.1
[M+H-H2O]+ 175.17249 140.7
[M+HCOO]- 237.17343 167.4
[M+CH3COO]- 251.18908 186.1
[M+Na-2H]- 213.14990 152.8
[M]+ 192.17468 144.5
[M]- 192.17578 144.5
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