CID 459110

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

No literature data available for this compound.

Patent stripe

patents stripe