CID 3413360

2-(dimethylamino)ethyl thiocyanate

Structural Information

Molecular Formula

C₅H₁₀N₂S

SMILES

CN(C)CCSC#N

InChI

InChI=1S/C5H10N2S/c1-7(2)3-4-8-5-6/h3-4H2,1-2H3

InChIKey

MVVDUNWEFZQRIW-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl thiocyanate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 130.05647 Da
Monoisotopic Mass: 1.0
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]+	131.063746	126.9
[M+Na]+	153.045688	135.7
[M-H]-	129.049194	129.8
[M+NH4]+	148.090293	147.8
[M+K]+	169.019628	136.4
[M+H-H2O]+	113.053730	115.2
[M+HCOO]-	175.054671	143.6
[M+CH3COO]-	189.070321	190.3
[M+Na-2H]-	151.031136	130.6
[M]+	130.05592142	125.2
[M]-	130.05701858	125.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.