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]+ 271.156676 163.2
[M+Na]+ 293.138618 169.1
[M-H]- 269.142124 171.3
[M+NH4]+ 288.183223 179.6
[M+K]+ 309.112558 161.1
[M+H-H2O]+ 253.146660 158.1
[M+HCOO]- 315.147601 186.6
[M+CH3COO]- 329.163251 196.5
[M+Na-2H]- 291.124066 171.5
[M]+ 270.14885142 164.1
[M]- 270.14994858 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.