CID 35777

31362-12-6

Structural Information

Molecular Formula

C₁₁H₁₅NS₂

SMILES

CN(C)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C11H15NS2/c1-12(2)10-5-3-9(4-6-10)11-13-7-8-14-11/h3-6,11H,7-8H2,1-2H3

InChIKey

ILIUITZNOPFHKC-UHFFFAOYSA-N

Compound name

4-(1,3-dithiolan-2-yl)-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.06459 Da
Monoisotopic Mass: 3.0
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]+	226.07187	147.7
[M+Na]+	248.05381	154.9
[M-H]-	224.05731	155.6
[M+NH4]+	243.09841	169.0
[M+K]+	264.02775	151.6
[M+H-H2O]+	208.06185	141.6
[M+HCOO]-	270.06279	161.7
[M+CH3COO]-	284.07844	160.5
[M+Na-2H]-	246.03926	147.0
[M]+	225.06404	148.3
[M]-	225.06514	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe