CID 165987262

2-(1-chloro-2-methylpropyl)-1,3-thiazole

Structural Information

Molecular Formula
C7H10ClNS
SMILES
CC(C)C(C1=NC=CS1)Cl
InChI
InChI=1S/C7H10ClNS/c1-5(2)6(8)7-9-3-4-10-7/h3-6H,1-2H3
InChIKey
DKJIROCEPRVPNV-UHFFFAOYSA-N
Compound name
2-(1-chloro-2-methylpropyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.02225 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.02953 134.9
[M+Na]+ 198.01147 143.7
[M-H]- 174.01497 137.7
[M+NH4]+ 193.05607 157.1
[M+K]+ 213.98541 140.9
[M+H-H2O]+ 158.01951 129.8
[M+HCOO]- 220.02045 147.6
[M+CH3COO]- 234.03610 177.6
[M+Na-2H]- 195.99692 135.3
[M]+ 175.02170 138.1
[M]- 175.02280 138.1
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

No patent data available for this compound.