CID 597461

C-6-thiazole

Structural Information

Molecular Formula
C9H13NS
SMILES
C1CCCC2=C(CC1)N=CS2
InChI
InChI=1S/C9H13NS/c1-2-4-6-9-8(5-3-1)10-7-11-9/h7H,1-6H2
InChIKey
CWLNBODXGYKWKE-UHFFFAOYSA-N
Compound name
4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

167.07687 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.084146 146.6
[M+Na]+ 190.066088 151.7
[M-H]- 166.069594 148.2
[M+NH4]+ 185.110693 156.8
[M+K]+ 206.040028 151.7
[M+H-H2O]+ 150.074130 143.1
[M+HCOO]- 212.075071 153.7
[M+CH3COO]- 226.090721 151.9
[M+Na-2H]- 188.051536 146.2
[M]+ 167.07632142 145.9
[M]- 167.07741858 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe