CID 3032838

2-(dimethylamino)thioacetamide hydrochloride

Structural Information

Molecular Formula
C4H10N2S
SMILES
CN(C)CC(=S)N
InChI
InChI=1S/C4H10N2S/c1-6(2)3-4(5)7/h3H2,1-2H3,(H2,5,7)
InChIKey
GQGHFSJGSKEKJZ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

118.05647 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06375 123.5
[M+Na]+ 141.04569 129.9
[M-H]- 117.04919 125.1
[M+NH4]+ 136.09029 146.2
[M+K]+ 157.01963 129.7
[M+H-H2O]+ 101.05373 118.0
[M+HCOO]- 163.05467 143.1
[M+CH3COO]- 177.07032 177.3
[M+Na-2H]- 139.03114 125.5
[M]+ 118.05592 123.2
[M]- 118.05702 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe