CID 3474784

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

Structural Information

Molecular Formula
C9H8N2S
SMILES
C1=CC(=CC=C1C2=NC=CS2)N
InChI
InChI=1S/C9H8N2S/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H,10H2
InChIKey
ZGOFHPZQYOXFCP-UHFFFAOYSA-N
Compound name
4-(1,3-thiazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

176.04082 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.048096 133.6
[M+Na]+ 199.030038 143.4
[M-H]- 175.033544 139.5
[M+NH4]+ 194.074643 154.6
[M+K]+ 215.003978 139.4
[M+H-H2O]+ 159.038080 127.0
[M+HCOO]- 221.039021 154.6
[M+CH3COO]- 235.054671 147.8
[M+Na-2H]- 197.015486 137.3
[M]+ 176.04027142 133.4
[M]- 176.04136858 133.4
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