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]+ 170.06342 133.3
[M+Na]+ 192.04536 141.6
[M-H]- 168.04886 135.2
[M+NH4]+ 187.08996 155.5
[M+K]+ 208.01930 138.7
[M+H-H2O]+ 152.05340 128.1
[M+HCOO]- 214.05434 148.4
[M+CH3COO]- 228.06999 146.3
[M+Na-2H]- 190.03081 136.4
[M]+ 169.05559 132.6
[M]- 169.05669 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