CID 3050739

(5-hydroxy-3-biphenylyl)trimethylammonium bromide

Structural Information

Molecular Formula
C15H18NO
SMILES
C[N+](C)(C)C1=CC(=CC(=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C15H17NO/c1-16(2,3)14-9-13(10-15(17)11-14)12-7-5-4-6-8-12/h4-11H,1-3H3/p+1
InChIKey
KPKIGBDNZVKZIX-UHFFFAOYSA-O
Compound name
(3-hydroxy-5-phenylphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.13884 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14612 150.7
[M+Na]+ 251.12806 158.1
[M-H]- 227.13156 158.1
[M+NH4]+ 246.17266 168.7
[M+K]+ 267.10200 149.2
[M+H-H2O]+ 211.13610 146.7
[M+HCOO]- 273.13704 173.9
[M+CH3COO]- 287.15269 187.8
[M+Na-2H]- 249.11351 160.2
[M]+ 228.13829 149.5
[M]- 228.13939 149.5
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.