CID 735091

2-amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole

Structural Information

Molecular Formula
C13H14N2S
SMILES
C1CCC2=C(C1)C=CC(=C2)C3=CSC(=N3)N
InChI
InChI=1S/C13H14N2S/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H2,14,15)
InChIKey
XCDNQJNJCJJQEC-UHFFFAOYSA-N
Compound name
4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

23
Patents

230.08777 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09505 148.4
[M+Na]+ 253.07699 156.8
[M-H]- 229.08049 154.4
[M+NH4]+ 248.12159 168.3
[M+K]+ 269.05093 151.7
[M+H-H2O]+ 213.08503 141.7
[M+HCOO]- 275.08597 165.3
[M+CH3COO]- 289.10162 160.9
[M+Na-2H]- 251.06244 150.9
[M]+ 230.08722 146.3
[M]- 230.08832 146.3
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