CID 213676

26864-88-0

Structural Information

Molecular Formula

C₉H₁₈N₂S₂

SMILES

CC1CN(CCN1C(=S)S)C(C)C

InChI

InChI=1S/C9H18N2S2/c1-7(2)10-4-5-11(9(12)13)8(3)6-10/h7-8H,4-6H2,1-3H3,(H,12,13)

InChIKey

KRIAJTKEWDHGEE-UHFFFAOYSA-N

Compound name

2-methyl-4-propan-2-ylpiperazine-1-carbodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.09114 Da
Monoisotopic Mass: 2.0
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]+	219.09842	145.1
[M+Na]+	241.08036	151.2
[M-H]-	217.08386	145.2
[M+NH4]+	236.12496	161.9
[M+K]+	257.05430	147.8
[M+H-H2O]+	201.08840	138.8
[M+HCOO]-	263.08934	149.8
[M+CH3COO]-	277.10499	188.8
[M+Na-2H]-	239.06581	141.4
[M]+	218.09059	143.6
[M]-	218.09169	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe