CID 13187667

8h-indeno[1,2-d][1,3]thiazol-2-amine

Structural Information

Molecular Formula
C10H8N2S
SMILES
C1C2=CC=CC=C2C3=C1SC(=N3)N
InChI
InChI=1S/C10H8N2S/c11-10-12-9-7-4-2-1-3-6(7)5-8(9)13-10/h1-4H,5H2,(H2,11,12)
InChIKey
XXHWFLFMSNXBLK-UHFFFAOYSA-N
Compound name
4H-indeno[1,2-d][1,3]thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

188.04082 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04810 136.3
[M+Na]+ 211.03004 148.1
[M-H]- 187.03354 141.5
[M+NH4]+ 206.07464 161.3
[M+K]+ 227.00398 144.1
[M+H-H2O]+ 171.03808 131.7
[M+HCOO]- 233.03902 156.3
[M+CH3COO]- 247.05467 151.1
[M+Na-2H]- 209.01549 140.2
[M]+ 188.04027 138.5
[M]- 188.04137 138.5
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