CID 29391

19022-73-2

Structural Information

Molecular Formula

C₈H₁₈N₂S₂

SMILES

CCN(CC)CCN(C)C(=S)S

InChI

InChI=1S/C8H18N2S2/c1-4-10(5-2)7-6-9(3)8(11)12/h4-7H2,1-3H3,(H,11,12)

InChIKey

XYGKBVQOXBQHHP-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl-methylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 206.09114 Da
Monoisotopic Mass: 1.7
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]+	207.098416	145.8
[M+Na]+	229.080358	150.5
[M-H]-	205.083864	148.2
[M+NH4]+	224.124963	165.9
[M+K]+	245.054298	149.2
[M+H-H2O]+	189.088400	138.8
[M+HCOO]-	251.089341	158.8
[M+CH3COO]-	265.104991	197.6
[M+Na-2H]-	227.065806	144.3
[M]+	206.09059142	149.8
[M]-	206.09168858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe