CID 3038140

1-piperidinecarbamic acid, dithio-, monosodium salt

Structural Information

Molecular Formula

C₆H₁₂N₂S₂

SMILES

C1CCN(CC1)NC(=S)S

InChI

InChI=1S/C6H12N2S2/c9-6(10)7-8-4-2-1-3-5-8/h1-5H2,(H2,7,9,10)

InChIKey

APGXDGZXGZROMN-UHFFFAOYSA-N

Compound name

piperidin-1-ylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 254
Patents: 176.04419 Da
Monoisotopic Mass: 1.8
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]+	177.05147	133.8
[M+Na]+	199.03341	138.9
[M-H]-	175.03691	134.9
[M+NH4]+	194.07801	152.7
[M+K]+	215.00735	135.6
[M+H-H2O]+	159.04145	127.6
[M+HCOO]-	221.04239	142.7
[M+CH3COO]-	235.05804	178.9
[M+Na-2H]-	197.01886	134.3
[M]+	176.04364	129.7
[M]-	176.04474	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe