CID 119031527

4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbonitrile

Structural Information

Molecular Formula
C6H6ClN3S
SMILES
CN(C)C1=NC(=C(S1)C#N)Cl
InChI
InChI=1S/C6H6ClN3S/c1-10(2)6-9-5(7)4(3-8)11-6/h1-2H3
InChIKey
JOVYHFPHLNRTJI-UHFFFAOYSA-N
Compound name
4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.9971 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.00438 139.9
[M+Na]+ 209.98632 152.3
[M-H]- 185.98982 144.4
[M+NH4]+ 205.03092 160.2
[M+K]+ 225.96026 149.7
[M+H-H2O]+ 169.99436 127.8
[M+HCOO]- 231.99530 153.1
[M+CH3COO]- 246.01095 196.3
[M+Na-2H]- 207.97177 141.5
[M]+ 186.99655 139.5
[M]- 186.99765 139.6
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.