CID 124089

3-thiophenamine, n-(2-methoxy-1-methylethyl)-2,4-dimethyl-

Structural Information

Molecular Formula

C₁₀H₁₇NOS

SMILES

CC1=CSC(=C1NC(C)COC)C

InChI

InChI=1S/C10H17NOS/c1-7-6-13-9(3)10(7)11-8(2)5-12-4/h6,8,11H,5H2,1-4H3

InChIKey

MKTFWDHZGUUGQZ-UHFFFAOYSA-N

Compound name

N-(1-methoxypropan-2-yl)-2,4-dimethylthiophen-3-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 38
Patents: 199.10309 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]+	200.110366	144.8
[M+Na]+	222.092308	152.6
[M-H]-	198.095814	149.0
[M+NH4]+	217.136913	166.7
[M+K]+	238.066248	150.6
[M+H-H2O]+	182.100350	139.2
[M+HCOO]-	244.101291	164.5
[M+CH3COO]-	258.116941	188.2
[M+Na-2H]-	220.077756	144.7
[M]+	199.10254142	148.9
[M]-	199.10363858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe