CID 46771

64048-37-9

Structural Information

Molecular Formula
C16H18NO2
SMILES
C[N+](C)(C)C1=CC=CC=C1OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H18NO2/c1-17(2,3)14-11-7-8-12-15(14)19-16(18)13-9-5-4-6-10-13/h4-12H,1-3H3/q+1
InChIKey
AORMMSJCFCPICU-UHFFFAOYSA-N
Compound name
(2-benzoyloxyphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.13376 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14104 158.3
[M+Na]+ 279.12298 164.7
[M-H]- 255.12648 166.7
[M+NH4]+ 274.16758 175.4
[M+K]+ 295.09692 156.9
[M+H-H2O]+ 239.13102 153.5
[M+HCOO]- 301.13196 182.1
[M+CH3COO]- 315.14761 193.5
[M+Na-2H]- 277.10843 167.2
[M]+ 256.13321 158.9
[M]- 256.13431 158.9
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.