CID 3040366

52098-86-9

Structural Information

Molecular Formula

C₄H₁₀N₂S₂

SMILES

C(CN)CNC(=S)S

InChI

InChI=1S/C4H10N2S2/c5-2-1-3-6-4(7)8/h1-3,5H2,(H2,6,7,8)

InChIKey

GQBWSMXMWZAPDM-UHFFFAOYSA-N

Compound name

3-aminopropylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 150.02853 Da
Monoisotopic Mass: 0.1
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]+	151.035806	127.7
[M+Na]+	173.017748	133.8
[M-H]-	149.021254	127.1
[M+NH4]+	168.062353	148.3
[M+K]+	188.991688	130.2
[M+H-H2O]+	133.025790	121.8
[M+HCOO]-	195.026731	140.5
[M+CH3COO]-	209.042381	178.2
[M+Na-2H]-	171.003196	128.2
[M]+	150.02798142	126.6
[M]-	150.02907858	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe