CID 12917751

77528-47-3

Structural Information

Molecular Formula
C8H11NOS
SMILES
C1CC(C2=C(C1)SC=N2)CO
InChI
InChI=1S/C8H11NOS/c10-4-6-2-1-3-7-8(6)9-5-11-7/h5-6,10H,1-4H2
InChIKey
OPITVRBXKRIOFT-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

169.05614 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.063416 133.3
[M+Na]+ 192.045358 141.6
[M-H]- 168.048864 135.2
[M+NH4]+ 187.089963 155.5
[M+K]+ 208.019298 138.7
[M+H-H2O]+ 152.053400 128.1
[M+HCOO]- 214.054341 148.4
[M+CH3COO]- 228.069991 146.3
[M+Na-2H]- 190.030806 136.4
[M]+ 169.05559142 132.6
[M]- 169.05668858 132.6
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