CID 18984635

3-(chloromethyl)-n,n-dimethyl-1,2,4-thiadiazol-5-amine

Structural Information

Molecular Formula
C5H8ClN3S
SMILES
CN(C)C1=NC(=NS1)CCl
InChI
InChI=1S/C5H8ClN3S/c1-9(2)5-7-4(3-6)8-10-5/h3H2,1-2H3
InChIKey
UUINIJPFNXSOQK-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

177.01274 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.02002 133.0
[M+Na]+ 200.00196 143.4
[M-H]- 176.00546 136.2
[M+NH4]+ 195.04656 154.5
[M+K]+ 215.97590 141.3
[M+H-H2O]+ 160.01000 126.8
[M+HCOO]- 222.01094 148.5
[M+CH3COO]- 236.02659 181.9
[M+Na-2H]- 197.98741 135.7
[M]+ 177.01219 137.9
[M]- 177.01329 137.9
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