CID 131576

4-propylthio-o-anisidine

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]+	198.094706	141.6
[M+Na]+	220.076648	149.6
[M-H]-	196.080154	145.1
[M+NH4]+	215.121253	161.5
[M+K]+	236.050588	146.4
[M+H-H2O]+	180.084690	135.5
[M+HCOO]-	242.085631	161.0
[M+CH3COO]-	256.101281	186.6
[M+Na-2H]-	218.062096	143.9
[M]+	197.08688142	144.4
[M]-	197.08797858	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe