CID 12790769

4-(chloromethyl)-2-propyl-1,3-thiazole

Structural Information

Molecular Formula
C7H10ClNS
SMILES
CCCC1=NC(=CS1)CCl
InChI
InChI=1S/C7H10ClNS/c1-2-3-7-9-6(4-8)5-10-7/h5H,2-4H2,1H3
InChIKey
PAZHFVKPFFPSEK-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-propyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

175.02225 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.02953 134.0
[M+Na]+ 198.01147 144.3
[M-H]- 174.01497 136.9
[M+NH4]+ 193.05607 156.7
[M+K]+ 213.98541 140.6
[M+H-H2O]+ 158.01951 129.1
[M+HCOO]- 220.02045 148.8
[M+CH3COO]- 234.03610 177.1
[M+Na-2H]- 195.99692 136.0
[M]+ 175.02170 138.7
[M]- 175.02280 138.7
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