CID 21793169

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

Structural Information

Molecular Formula
C9H8N2S
SMILES
C1=CC(=CC=C1C2=CSC=N2)N
InChI
InChI=1S/C9H8N2S/c10-8-3-1-7(2-4-8)9-5-12-6-11-9/h1-6H,10H2
InChIKey
SDJUCFDTGVONMR-UHFFFAOYSA-N
Compound name
4-(1,3-thiazol-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

176.04082 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04810 134.4
[M+Na]+ 199.03004 147.4
[M+NH4]+ 194.07464 144.4
[M+K]+ 215.00398 140.1
[M-H]- 175.03354 139.2
[M+Na-2H]- 197.01549 143.2
[M]+ 176.04027 138.0
[M]- 176.04137 138.0
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