CID 616434

4-(1-adamantyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C13H18N2S
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)N
InChI
InChI=1S/C13H18N2S/c14-12-15-11(7-16-12)13-4-8-1-9(5-13)3-10(2-8)6-13/h7-10H,1-6H2,(H2,14,15)
InChIKey
JVJWJUQLRDIVJV-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

33
Patents

234.11906 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12634 146.6
[M+Na]+ 257.10828 150.7
[M-H]- 233.11178 143.5
[M+NH4]+ 252.15288 172.2
[M+K]+ 273.08222 147.1
[M+H-H2O]+ 217.11632 141.0
[M+HCOO]- 279.11726 151.0
[M+CH3COO]- 293.13291 155.8
[M+Na-2H]- 255.09373 155.2
[M]+ 234.11851 147.8
[M]- 234.11961 147.8
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