CID 2115238

869947-86-4

Structural Information

Molecular Formula

C₁₃H₁₅NOS

SMILES

COC1=CC=CC=C1CNCC2=CC=CS2

InChI

InChI=1S/C13H15NOS/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3

InChIKey

BNUOVFLGFYELTB-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.08743 Da
Monoisotopic Mass: 2.5
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]+	234.094706	151.0
[M+Na]+	256.076648	158.7
[M-H]-	232.080154	158.1
[M+NH4]+	251.121253	171.1
[M+K]+	272.050588	154.8
[M+H-H2O]+	216.084690	144.3
[M+HCOO]-	278.085631	172.8
[M+CH3COO]-	292.101281	190.7
[M+Na-2H]-	254.062096	153.8
[M]+	233.08688142	154.1
[M]-	233.08797858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe