CID 47002510

{[3-methoxy-4-(methylsulfanyl)phenyl]methyl}(methyl)amine

Structural Information

Molecular Formula

C₁₀H₁₅NOS

SMILES

CNCC1=CC(=C(C=C1)SC)OC

InChI

InChI=1S/C10H15NOS/c1-11-7-8-4-5-10(13-3)9(6-8)12-2/h4-6,11H,7H2,1-3H3

InChIKey

QUDHHRXRBPGKEA-UHFFFAOYSA-N

Compound name

1-(3-methoxy-4-methylsulfanylphenyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.08743 Da
Monoisotopic Mass: 1.8
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]+	198.094706	141.1
[M+Na]+	220.076648	149.1
[M-H]-	196.080154	145.2
[M+NH4]+	215.121253	161.3
[M+K]+	236.050588	146.3
[M+H-H2O]+	180.084690	135.0
[M+HCOO]-	242.085631	161.1
[M+CH3COO]-	256.101281	187.3
[M+Na-2H]-	218.062096	144.4
[M]+	197.08688142	144.9
[M]-	197.08797858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.