CID 14763520

5-chloro-n,n-dimethyl-1,2,4-thiadiazol-3-amine

Structural Information

Molecular Formula
C4H6ClN3S
SMILES
CN(C)C1=NSC(=N1)Cl
InChI
InChI=1S/C4H6ClN3S/c1-8(2)4-6-3(5)9-7-4/h1-2H3
InChIKey
CUTXHPVVEVMARX-UHFFFAOYSA-N
Compound name
5-chloro-N,N-dimethyl-1,2,4-thiadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

162.9971 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.00438 128.5
[M+Na]+ 185.98632 139.3
[M-H]- 161.98982 131.9
[M+NH4]+ 181.03092 150.5
[M+K]+ 201.96026 137.5
[M+H-H2O]+ 145.99436 122.5
[M+HCOO]- 207.99530 144.3
[M+CH3COO]- 222.01095 178.9
[M+Na-2H]- 183.97177 131.7
[M]+ 162.99655 133.1
[M]- 162.99765 133.1
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