CID 121120

1602-20-6

Structural Information

Molecular Formula

C₉H₂₁N₃S

SMILES

CCNC(=NCC)SCCN(C)C

InChI

InChI=1S/C9H21N3S/c1-5-10-9(11-6-2)13-8-7-12(3)4/h5-8H2,1-4H3,(H,10,11)

InChIKey

CVHIIFDSQIKTOR-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl N,N'-diethylcarbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.14561 Da
Monoisotopic Mass: 1.4
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]+	204.15289	150.2
[M+Na]+	226.13483	157.0
[M+NH4]+	221.17943	157.9
[M+K]+	242.10877	149.5
[M-H]-	202.13833	151.9
[M+Na-2H]-	224.12028	153.0
[M]+	203.14506	151.7
[M]-	203.14616	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe