CID 46775

2-benzoyloxybenzyltrimethylammonium bromide

Structural Information

Molecular Formula
C17H20NO2
SMILES
C[N+](C)(C)CC1=CC=CC=C1OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H20NO2/c1-18(2,3)13-15-11-7-8-12-16(15)20-17(19)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3/q+1
InChIKey
LQKSXMVTVDXJAC-UHFFFAOYSA-N
Compound name
(2-benzoyloxyphenyl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1494 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15668 163.2
[M+Na]+ 293.13862 169.1
[M-H]- 269.14212 171.3
[M+NH4]+ 288.18322 179.6
[M+K]+ 309.11256 161.1
[M+H-H2O]+ 253.14666 158.1
[M+HCOO]- 315.14760 186.6
[M+CH3COO]- 329.16325 196.5
[M+Na-2H]- 291.12407 171.5
[M]+ 270.14885 164.1
[M]- 270.14995 164.1
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.