CID 12603879

14208-52-7

Structural Information

Molecular Formula
C9H8N2S
SMILES
C1=CC=C(C=C1)C2=NSC(=C2)N
InChI
InChI=1S/C9H8N2S/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2
InChIKey
DHGKYVMNSHRALD-UHFFFAOYSA-N
Compound name
3-phenyl-1,2-thiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

176.04082 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04810 133.6
[M+Na]+ 199.03004 143.4
[M-H]- 175.03354 139.5
[M+NH4]+ 194.07464 154.6
[M+K]+ 215.00398 139.4
[M+H-H2O]+ 159.03808 127.0
[M+HCOO]- 221.03902 154.6
[M+CH3COO]- 235.05467 147.8
[M+Na-2H]- 197.01549 137.3
[M]+ 176.04027 133.4
[M]- 176.04137 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