CID 46424

Ethylmethylthiambutene

Structural Information

Molecular Formula

C₁₅H₁₉NS₂

SMILES

CCN(C)C(C)C=C(C1=CC=CS1)C2=CC=CS2

InChI

InChI=1S/C15H19NS2/c1-4-16(3)12(2)11-13(14-7-5-9-17-14)15-8-6-10-18-15/h5-12H,4H2,1-3H3

InChIKey

MORSAEFGQPDBKM-UHFFFAOYSA-N

Compound name

N-ethyl-N-methyl-4,4-dithiophen-2-ylbut-3-en-2-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 7123
Patents: 277.0959 Da
Monoisotopic Mass: 4.5
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]+	278.10318	168.3
[M+Na]+	300.08512	175.9
[M-H]-	276.08862	176.9
[M+NH4]+	295.12972	189.2
[M+K]+	316.05906	172.2
[M+H-H2O]+	260.09316	161.9
[M+HCOO]-	322.09410	184.1
[M+CH3COO]-	336.10975	201.7
[M+Na-2H]-	298.07057	164.2
[M]+	277.09535	173.2
[M]-	277.09645	173.2

Literature stripe

literature stripe

Patent stripe

patents stripe