CID 20234069

67869-69-6

Structural Information

Molecular Formula

C₆H₁₀N₄S

SMILES

C1CN(CCN1)C2=NN=CS2

InChI

InChI=1S/C6H10N4S/c1-3-10(4-2-7-1)6-9-8-5-11-6/h5,7H,1-4H2

InChIKey

VGAQTZHPPPUQOM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 170.06262 Da
Monoisotopic Mass: 0.2
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]+	171.069896	134.1
[M+Na]+	193.051838	141.7
[M-H]-	169.055344	133.9
[M+NH4]+	188.096443	150.5
[M+K]+	209.025778	138.7
[M+H-H2O]+	153.059880	125.8
[M+HCOO]-	215.060821	146.1
[M+CH3COO]-	229.076471	145.4
[M+Na-2H]-	191.037286	136.5
[M]+	170.06207142	129.6
[M]-	170.06316858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe