CID 21155956

44816-46-8

Structural Information

Molecular Formula

C₆H₁₄N₂S

SMILES

CCC(C)CSC(=N)N

InChI

InChI=1S/C6H14N2S/c1-3-5(2)4-9-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)

InChIKey

PMVJDZJKRFHGST-UHFFFAOYSA-N

Compound name

2-methylbutyl carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 146.08777 Da
Monoisotopic Mass: 1.9
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]+	147.09505	133.2
[M+Na]+	169.07699	140.5
[M+NH4]+	164.12159	141.1
[M+K]+	185.05093	134.2
[M-H]-	145.08049	133.6
[M+Na-2H]-	167.06244	135.5
[M]+	146.08722	134.4
[M]-	146.08832	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.