CID 113695

63680-43-3

Structural Information

Molecular Formula

C₈H₁₉N₃S

SMILES

CCCC(CN(C)C)SC(=N)N

InChI

InChI=1S/C8H19N3S/c1-4-5-7(6-11(2)3)12-8(9)10/h7H,4-6H2,1-3H3,(H3,9,10)

InChIKey

IHTHERIQOYUXEH-UHFFFAOYSA-N

Compound name

1-(dimethylamino)pentan-2-yl carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.12997 Da
Monoisotopic Mass: 1.5
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]+	190.13725	145.8
[M+Na]+	212.11919	151.6
[M+NH4]+	207.16379	153.1
[M+K]+	228.09313	145.7
[M-H]-	188.12269	146.6
[M+Na-2H]-	210.10464	147.6
[M]+	189.12942	146.8
[M]-	189.13052	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.