CID 6623853

4-(piperidin-1-yl)-1,2,5-thiadiazol-3-ol

Structural Information

Molecular Formula

C₇H₁₁N₃OS

SMILES

C1CCN(CC1)C2=NSNC2=O

InChI

InChI=1S/C7H11N3OS/c11-7-6(8-12-9-7)10-4-2-1-3-5-10/h1-5H2,(H,9,11)

InChIKey

AAVJZQHWXNHZLD-UHFFFAOYSA-N

Compound name

4-piperidin-1-yl-1,2,5-thiadiazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7
Patents: 185.06229 Da
Monoisotopic Mass: 0.8
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]+	186.06957	138.4
[M+Na]+	208.05151	149.2
[M+NH4]+	203.09611	146.3
[M+K]+	224.02545	143.5
[M-H]-	184.05501	139.7
[M+Na-2H]-	206.03696	143.5
[M]+	185.06174	140.5
[M]-	185.06284	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe