CID 3041850

Carbamodithioic acid, methyl(2-(methylamino)ethyl)-

Structural Information

Molecular Formula
C5H12N2S2
SMILES
CNCCN(C)C(=S)S
InChI
InChI=1S/C5H12N2S2/c1-6-3-4-7(2)5(8)9/h6H,3-4H2,1-2H3,(H,8,9)
InChIKey
SPUBRZIAWLQYLH-UHFFFAOYSA-N
Compound name
methyl-[2-(methylamino)ethyl]carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

164.04419 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05147 132.6
[M+Na]+ 187.03341 138.4
[M-H]- 163.03691 133.9
[M+NH4]+ 182.07801 153.6
[M+K]+ 203.00735 136.4
[M+H-H2O]+ 147.04145 126.3
[M+HCOO]- 209.04239 146.1
[M+CH3COO]- 223.05804 185.3
[M+Na-2H]- 185.01886 132.9
[M]+ 164.04364 134.1
[M]- 164.04474 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe