CID 45685

3-(p-toluoyloxy)phenyltrimethylammonium bromide

Structural Information

Molecular Formula
C17H20NO2
SMILES
CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C
InChI
InChI=1S/C17H20NO2/c1-13-8-10-14(11-9-13)17(19)20-16-7-5-6-15(12-16)18(2,3)4/h5-12H,1-4H3/q+1
InChIKey
IGSQLZHTBJMDRE-UHFFFAOYSA-N
Compound name
trimethyl-[3-(4-methylbenzoyl)oxyphenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1494 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15668 161.5
[M+Na]+ 293.13862 177.6
[M+NH4]+ 288.18322 171.3
[M+K]+ 309.11256 170.9
[M-H]- 269.14212 168.3
[M+Na-2H]- 291.12407 172.2
[M]+ 270.14885 166.4
[M]- 270.14995 166.4
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

No patent data available for this compound.