CID 62922174

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

Structural Information

Molecular Formula
C10H14ClNS
SMILES
C1CCC(CC1)C2=CSC(=N2)CCl
InChI
InChI=1S/C10H14ClNS/c11-6-10-12-9(7-13-10)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKey
GWCSDDRLXIZTEF-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-cyclohexyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.05354 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06082 146.4
[M+Na]+ 238.04276 153.9
[M-H]- 214.04626 151.3
[M+NH4]+ 233.08736 166.9
[M+K]+ 254.01670 149.4
[M+H-H2O]+ 198.05080 140.3
[M+HCOO]- 260.05174 157.6
[M+CH3COO]- 274.06739 158.6
[M+Na-2H]- 236.02821 146.3
[M]+ 215.05299 145.7
[M]- 215.05409 145.7
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

No patent data available for this compound.