CID 124126541

1883264-36-5

Structural Information

Molecular Formula

C₁₁H₁₅N₃S₂

SMILES

CCC(C)(C#N)SC(=S)N1C(=CC(=N1)C)C

InChI

InChI=1S/C11H15N3S2/c1-5-11(4,7-12)16-10(15)14-9(3)6-8(2)13-14/h6H,5H2,1-4H3

InChIKey

YLQFEMAFHJDHDH-UHFFFAOYSA-N

Compound name

2-cyanobutan-2-yl 3,5-dimethylpyrazole-1-carbodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 253.07074 Da
Monoisotopic Mass: 3.4
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]+	254.07802	150.0
[M+Na]+	276.05996	159.3
[M+NH4]+	271.10456	154.1
[M+K]+	292.03390	149.9
[M-H]-	252.06346	143.1
[M+Na-2H]-	274.04541	150.7
[M]+	253.07019	149.3
[M]-	253.07129	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe