CID 44540

4-acetamidophenyltrimethylammonium iodide

Structural Information

Molecular Formula
C11H17N2O
SMILES
CC(=O)NC1=CC=C(C=C1)[N+](C)(C)C
InChI
InChI=1S/C11H16N2O/c1-9(14)12-10-5-7-11(8-6-10)13(2,3)4/h5-8H,1-4H3/p+1
InChIKey
RZHGKQFNLRORIS-UHFFFAOYSA-O
Compound name
(4-acetamidophenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.1341 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.14138 140.1
[M+Na]+ 216.12332 146.7
[M-H]- 192.12682 145.7
[M+NH4]+ 211.16792 160.0
[M+K]+ 232.09726 140.3
[M+H-H2O]+ 176.13136 137.0
[M+HCOO]- 238.13230 165.0
[M+CH3COO]- 252.14795 185.5
[M+Na-2H]- 214.10877 149.6
[M]+ 193.13355 139.3
[M]- 193.13465 139.3
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.