CID 28387593

N-(2-carbamothioylethyl)-n-methylacetamide

Structural Information

Molecular Formula
C6H12N2OS
SMILES
CC(=O)N(C)CCC(=S)N
InChI
InChI=1S/C6H12N2OS/c1-5(9)8(2)4-3-6(7)10/h3-4H2,1-2H3,(H2,7,10)
InChIKey
HLSDYDDIZHOADE-UHFFFAOYSA-N
Compound name
N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06703 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07431 135.4
[M+Na]+ 183.05625 140.9
[M-H]- 159.05975 136.6
[M+NH4]+ 178.10085 156.2
[M+K]+ 199.03019 140.5
[M+H-H2O]+ 143.06429 129.4
[M+HCOO]- 205.06523 153.7
[M+CH3COO]- 219.08088 184.7
[M+Na-2H]- 181.04170 135.3
[M]+ 160.06648 135.8
[M]- 160.06758 135.8
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

No patent data available for this compound.