CID 46784931

40516-71-0

Structural Information

Molecular Formula
C8H11NOS
SMILES
C1CCC2=C(C1)N=C(S2)CO
InChI
InChI=1S/C8H11NOS/c10-5-8-9-6-3-1-2-4-7(6)11-8/h10H,1-5H2
InChIKey
MZQZKCUGRSNVFJ-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.05614 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 133.5
[M+Na]+ 192.04536 144.4
[M+NH4]+ 187.08996 143.4
[M+K]+ 208.01930 137.9
[M-H]- 168.04886 135.2
[M+Na-2H]- 190.03081 137.8
[M]+ 169.05559 135.9
[M]- 169.05669 135.9
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

No patent data available for this compound.