CID 458576

174316-28-0

Structural Information

Molecular Formula

SMILES

CC(C1=CC=CS1)NC

InChI

InChI=1S/C7H11NS/c1-6(8-2)7-4-3-5-9-7/h3-6,8H,1-2H3

InChIKey

IPSPCSZFJRJGMS-UHFFFAOYSA-N

Compound name

N-methyl-1-thiophen-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 141.06122 Da
Monoisotopic Mass: 1.4
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]+	142.06850	129.3
[M+Na]+	164.05044	139.3
[M+NH4]+	159.09504	139.1
[M+K]+	180.02438	133.1
[M-H]-	140.05394	132.0
[M+Na-2H]-	162.03589	134.9
[M]+	141.06067	131.8
[M]-	141.06177	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe