CID 7148568

3-(4-methyl-1,3-thiazol-2-yl)aniline

Structural Information

Molecular Formula
C10H10N2S
SMILES
CC1=CSC(=N1)C2=CC(=CC=C2)N
InChI
InChI=1S/C10H10N2S/c1-7-6-13-10(12-7)8-3-2-4-9(11)5-8/h2-6H,11H2,1H3
InChIKey
GZBUVZDSQJFVBT-UHFFFAOYSA-N
Compound name
3-(4-methyl-1,3-thiazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

190.05647 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06375 139.0
[M+Na]+ 213.04569 152.2
[M+NH4]+ 208.09029 148.9
[M+K]+ 229.01963 144.9
[M-H]- 189.04919 143.9
[M+Na-2H]- 211.03114 147.4
[M]+ 190.05592 142.8
[M]- 190.05702 142.8
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

patents stripe