CID 18941119

3-(dimethylamino)propanethioamide hydrochloride

Structural Information

Molecular Formula
C5H12N2S
SMILES
CN(C)CCC(=S)N
InChI
InChI=1S/C5H12N2S/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3,(H2,6,8)
InChIKey
APWATHHHOCAOLI-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

132.07211 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.079386 128.0
[M+Na]+ 155.061328 134.0
[M-H]- 131.064834 129.3
[M+NH4]+ 150.105933 150.1
[M+K]+ 171.035268 133.5
[M+H-H2O]+ 115.069370 122.3
[M+HCOO]- 177.070311 147.2
[M+CH3COO]- 191.085961 180.4
[M+Na-2H]- 153.046776 129.5
[M]+ 132.07156142 128.1
[M]- 132.07265858 128.1
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