CID 14913371

134767-55-8

Structural Information

Molecular Formula
C8H11NOS
SMILES
CC1=NC2=C(S1)C(CCC2)O
InChI
InChI=1S/C8H11NOS/c1-5-9-6-3-2-4-7(10)8(6)11-5/h7,10H,2-4H2,1H3
InChIKey
VRMWSMYTTSJLHI-UHFFFAOYSA-N
Compound name
2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

169.05614 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.063416 133.2
[M+Na]+ 192.045358 142.3
[M-H]- 168.048864 135.5
[M+NH4]+ 187.089963 155.7
[M+K]+ 208.019298 139.4
[M+H-H2O]+ 152.053400 128.4
[M+HCOO]- 214.054341 148.3
[M+CH3COO]- 228.069991 146.6
[M+Na-2H]- 190.030806 135.7
[M]+ 169.05559142 132.9
[M]- 169.05668858 132.9
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