CID 122164275

1955558-17-4

Structural Information

Molecular Formula
C5H11ClN2O2S
SMILES
CN(C)S(=NC(=O)CCl)(=O)C
InChI
InChI=1S/C5H11ClN2O2S/c1-8(2)11(3,10)7-5(9)4-6/h4H2,1-3H3
InChIKey
AGVHWEUPCMYLNY-UHFFFAOYSA-N
Compound name
2-chloro-N-(dimethylamino-methyl-oxo-lambda6-sulfanylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.02298 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03026 138.8
[M+Na]+ 221.01220 146.7
[M-H]- 197.01570 142.5
[M+NH4]+ 216.05680 160.2
[M+K]+ 236.98614 145.6
[M+H-H2O]+ 181.02024 134.3
[M+HCOO]- 243.02118 155.2
[M+CH3COO]- 257.03683 188.7
[M+Na-2H]- 218.99765 142.4
[M]+ 198.02243 144.4
[M]- 198.02353 144.4
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.