CID 9118376

129865-54-9

Structural Information

Molecular Formula
C6H7ClN2OS
SMILES
CN(C)C1=NC(=C(S1)C=O)Cl
InChI
InChI=1S/C6H7ClN2OS/c1-9(2)6-8-5(7)4(3-10)11-6/h3H,1-2H3
InChIKey
WQEAFACWNKVEMO-UHFFFAOYSA-N
Compound name
4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

189.99677 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00405 136.2
[M+Na]+ 212.98599 147.1
[M-H]- 188.98949 141.0
[M+NH4]+ 208.03059 158.6
[M+K]+ 228.95993 144.5
[M+H-H2O]+ 172.99403 131.0
[M+HCOO]- 234.99497 153.0
[M+CH3COO]- 249.01062 184.3
[M+Na-2H]- 210.97144 137.9
[M]+ 189.99622 142.1
[M]- 189.99732 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe