CID 346931

4-benzyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C10H10N2S
SMILES
C1=CC=C(C=C1)CC2=CSC(=N2)N
InChI
InChI=1S/C10H10N2S/c11-10-12-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,12)
InChIKey
FDUDPXVHCZKIOJ-UHFFFAOYSA-N
Compound name
4-benzyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

115
Patents

190.05647 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06375 138.0
[M+Na]+ 213.04569 147.3
[M-H]- 189.04919 143.8
[M+NH4]+ 208.09029 158.4
[M+K]+ 229.01963 143.1
[M+H-H2O]+ 173.05373 131.2
[M+HCOO]- 235.05467 158.7
[M+CH3COO]- 249.07032 151.8
[M+Na-2H]- 211.03114 141.3
[M]+ 190.05592 138.2
[M]- 190.05702 138.2
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