CID 152684

25021-49-2

Structural Information

Molecular Formula
C10H10N2S
SMILES
CC1=NC(=CS1)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H10N2S/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8/h2-6H,11H2,1H3
InChIKey
JCRKEVDAEUPNAA-UHFFFAOYSA-N
Compound name
4-(2-methyl-1,3-thiazol-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

145
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 138.2
[M+Na]+ 213.04569 148.4
[M-H]- 189.04919 144.3
[M+NH4]+ 208.09029 158.9
[M+K]+ 229.01963 144.1
[M+H-H2O]+ 173.05373 131.6
[M+HCOO]- 235.05467 158.8
[M+CH3COO]- 249.07032 152.3
[M+Na-2H]- 211.03114 140.7
[M]+ 190.05592 138.7
[M]- 190.05702 138.7
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