CID 57069814

2416233-61-7

Structural Information

Molecular Formula

C₇H₁₁N₃S

SMILES

C1CNCCC1C2=NN=CS2

InChI

InChI=1S/C7H11N3S/c1-3-8-4-2-6(1)7-10-9-5-11-7/h5-6,8H,1-4H2

InChIKey

ZNAMIPAVLMWTRR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 169.06737 Da
Monoisotopic Mass: 0.5
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]+	170.07465	134.2
[M+Na]+	192.05659	141.3
[M-H]-	168.06009	135.3
[M+NH4]+	187.10119	152.1
[M+K]+	208.03053	138.2
[M+H-H2O]+	152.06463	126.5
[M+HCOO]-	214.06557	147.2
[M+CH3COO]-	228.08122	145.8
[M+Na-2H]-	190.04204	136.3
[M]+	169.06682	129.6
[M]-	169.06792	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe