CID 3381424

(6-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthylmethyl)trimethylammonium iodide

Structural Information

Molecular Formula

C₁₅H₂₂NO₂

SMILES

C[N+](C)(C)CC1CCC2=C(C1=O)C=CC(=C2)OC

InChI

InChI=1S/C15H22NO2/c1-16(2,3)10-12-6-5-11-9-13(18-4)7-8-14(11)15(12)17/h7-9,12H,5-6,10H2,1-4H3/q+1

InChIKey

ZCBYWOSWMLXSKE-UHFFFAOYSA-N

Compound name

(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 248.16505 Da
Monoisotopic Mass: 2.1
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]+	249.172326	155.5
[M+Na]+	271.154268	162.4
[M-H]-	247.157774	161.4
[M+NH4]+	266.198873	174.7
[M+K]+	287.128208	154.8
[M+H-H2O]+	231.162310	152.1
[M+HCOO]-	293.163251	176.1
[M+CH3COO]-	307.178901	195.2
[M+Na-2H]-	269.139716	163.8
[M]+	248.16450142	155.7
[M]-	248.16559858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe