CID 131576

2-methoxy-4-(propylthio)aniline

Structural Information

Molecular Formula

C₁₀H₁₅NOS

SMILES

CCCSC1=CC(=C(C=C1)N)OC

InChI

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

InChIKey

HAKXYTIBSIDJTF-UHFFFAOYSA-N

Compound name

2-methoxy-4-propylsulfanylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 197.08743 Da
Monoisotopic Mass: 2.6
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]+	198.09471	141.6
[M+Na]+	220.07665	149.6
[M-H]-	196.08015	145.1
[M+NH4]+	215.12125	161.5
[M+K]+	236.05059	146.4
[M+H-H2O]+	180.08469	135.5
[M+HCOO]-	242.08563	161.0
[M+CH3COO]-	256.10128	186.6
[M+Na-2H]-	218.06210	143.9
[M]+	197.08688	144.4
[M]-	197.08798	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe