CID 1449026

3-cyclopentyl-1h-1,2,4-triazole-5-thiol

Structural Information

Molecular Formula

C₇H₁₁N₃S

SMILES

C1CCC(C1)C2=NC(=S)NN2

InChI

InChI=1S/C7H11N3S/c11-7-8-6(9-10-7)5-3-1-2-4-5/h5H,1-4H2,(H2,8,9,10,11)

InChIKey

HGDXTQPSTSDWCC-UHFFFAOYSA-N

Compound name

5-cyclopentyl-1,2-dihydro-1,2,4-triazole-3-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 169.06737 Da
Monoisotopic Mass: 1.3
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	135.8
[M+Na]+	192.05659	144.7
[M-H]-	168.06009	136.6
[M+NH4]+	187.10119	155.2
[M+K]+	208.03053	140.7
[M+H-H2O]+	152.06463	129.1
[M+HCOO]-	214.06557	149.7
[M+CH3COO]-	228.08122	147.9
[M+Na-2H]-	190.04204	134.9
[M]+	169.06682	131.5
[M]-	169.06792	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe