CID 45801

(3,4-dimethyl-5-methoxyphenyl)trimethylammonium iodide

Structural Information

Molecular Formula
C12H20NO
SMILES
CC1=CC(=CC(=C1C)OC)[N+](C)(C)C
InChI
InChI=1S/C12H20NO/c1-9-7-11(13(3,4)5)8-12(14-6)10(9)2/h7-8H,1-6H3/q+1
InChIKey
DZKMRIMXTXHBRL-UHFFFAOYSA-N
Compound name
(3-methoxy-4,5-dimethylphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1545 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.16178 140.6
[M+Na]+ 217.14372 149.5
[M-H]- 193.14722 146.8
[M+NH4]+ 212.18832 161.6
[M+K]+ 233.11766 143.2
[M+H-H2O]+ 177.15176 138.2
[M+HCOO]- 239.15270 165.0
[M+CH3COO]- 253.16835 187.1
[M+Na-2H]- 215.12917 149.3
[M]+ 194.15395 143.2
[M]- 194.15505 143.2
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.