CID 17887735

377734-55-9

Structural Information

Molecular Formula

C₁₃H₁₆NO

SMILES

C[N+](C)(C)C1=CC2=C(C=C1)C=CC(=C2)O

InChI

InChI=1S/C13H15NO/c1-14(2,3)12-6-4-10-5-7-13(15)9-11(10)8-12/h4-9H,1-3H3/p+1

InChIKey

QDTPHXAWXPLEEW-UHFFFAOYSA-O

Compound name

(7-hydroxynaphthalen-2-yl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 202.12318 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.13046	142.0
[M+Na]+	225.11240	150.4
[M-H]-	201.11590	147.4
[M+NH4]+	220.15700	162.5
[M+K]+	241.08634	142.0
[M+H-H2O]+	185.12044	139.3
[M+HCOO]-	247.12138	164.4
[M+CH3COO]-	261.13703	183.6
[M+Na-2H]-	223.09785	153.4
[M]+	202.12263	141.6
[M]-	202.12373	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe