CID 46784948

1211508-40-5

Structural Information

Molecular Formula
C9H13NOS
SMILES
C1CCC2=C(CC1)SC(=N2)CO
InChI
InChI=1S/C9H13NOS/c11-6-9-10-7-4-2-1-3-5-8(7)12-9/h11H,1-6H2
InChIKey
BFZRRWYKJHJXJE-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0718 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07908 136.3
[M+Na]+ 206.06102 144.9
[M+NH4]+ 201.10562 145.0
[M+K]+ 222.03496 140.3
[M-H]- 182.06452 137.6
[M+Na-2H]- 204.04647 140.2
[M]+ 183.07125 138.2
[M]- 183.07235 138.2
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

No patent data available for this compound.