CID 2376106

4-(chloromethyl)-n-(2-methylphenyl)-1,3-thiazol-2-amine hydrochloride

Structural Information

Molecular Formula
C11H11ClN2S
SMILES
CC1=CC=CC=C1NC2=NC(=CS2)CCl
InChI
InChI=1S/C11H11ClN2S/c1-8-4-2-3-5-10(8)14-11-13-9(6-12)7-15-11/h2-5,7H,6H2,1H3,(H,13,14)
InChIKey
CNFFSJCIPKONEN-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.03314 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04042 149.7
[M+Na]+ 261.02236 160.0
[M-H]- 237.02586 155.9
[M+NH4]+ 256.06696 169.5
[M+K]+ 276.99630 154.2
[M+H-H2O]+ 221.03040 143.4
[M+HCOO]- 283.03134 165.9
[M+CH3COO]- 297.04699 163.0
[M+Na-2H]- 259.00781 152.1
[M]+ 238.03259 153.4
[M]- 238.03369 153.4
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

No patent data available for this compound.