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 157.2
[M+Na]+ 279.12298 173.1
[M+NH4]+ 274.16758 167.1
[M+K]+ 295.09692 166.5
[M-H]- 255.12648 164.0
[M+Na-2H]- 277.10843 168.4
[M]+ 256.13321 162.0
[M]- 256.13431 162.0
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.