CID 86769314

1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine

Structural Information

Molecular Formula

C₈H₁₃N₃S

SMILES

CC1=NN=C(S1)N2CCCCC2

InChI

InChI=1S/C8H13N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-6H2,1H3

InChIKey

IIDJDXATFNHHGO-UHFFFAOYSA-N

Compound name

2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 183.08302 Da
Monoisotopic Mass: 2.1
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]+	184.09030	139.2
[M+Na]+	206.07224	150.9
[M+NH4]+	201.11684	148.2
[M+K]+	222.04618	144.2
[M-H]-	182.07574	141.7
[M+Na-2H]-	204.05769	145.3
[M]+	183.08247	141.9
[M]-	183.08357	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe