CID 3061990

80154-64-9

Structural Information

Molecular Formula

C₁₄H₁₇NS

SMILES

CCNC(CC1=CC=CC=C1)C2=CC=CS2

InChI

InChI=1S/C14H17NS/c1-2-15-13(14-9-6-10-16-14)11-12-7-4-3-5-8-12/h3-10,13,15H,2,11H2,1H3

InChIKey

GZBKFBQCFMMDBI-UHFFFAOYSA-N

Compound name

N-ethyl-2-phenyl-1-thiophen-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 231.10817 Da
Monoisotopic Mass: 3.4
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]+	232.11545	152.9
[M+Na]+	254.09739	159.1
[M-H]-	230.10089	159.5
[M+NH4]+	249.14199	172.8
[M+K]+	270.07133	154.9
[M+H-H2O]+	214.10543	146.0
[M+HCOO]-	276.10637	173.0
[M+CH3COO]-	290.12202	191.4
[M+Na-2H]-	252.08284	154.6
[M]+	231.10762	153.9
[M]-	231.10872	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe