CID 16770159

5-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C11H12N2S
SMILES
CC1=CC=CC=C1CC2=CN=C(S2)N
InChI
InChI=1S/C11H12N2S/c1-8-4-2-3-5-9(8)6-10-7-13-11(12)14-10/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKey
HVBQNABRJKMLAU-UHFFFAOYSA-N
Compound name
5-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

204.07211 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07939 142.6
[M+Na]+ 227.06133 152.3
[M-H]- 203.06483 148.6
[M+NH4]+ 222.10593 162.7
[M+K]+ 243.03527 147.8
[M+H-H2O]+ 187.06937 135.9
[M+HCOO]- 249.07031 162.9
[M+CH3COO]- 263.08596 156.3
[M+Na-2H]- 225.04678 144.6
[M]+ 204.07156 143.5
[M]- 204.07266 143.5
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