CID 62090945

2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

Structural Information

Molecular Formula
C9H13NOS
SMILES
CCC1=NC2=C(S1)C(CCC2)O
InChI
InChI=1S/C9H13NOS/c1-2-8-10-6-4-3-5-7(11)9(6)12-8/h7,11H,2-5H2,1H3
InChIKey
LNKIPKMIUUOOLW-UHFFFAOYSA-N
Compound name
2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0718 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07908 137.7
[M+Na]+ 206.06102 146.4
[M-H]- 182.06452 139.7
[M+NH4]+ 201.10562 159.6
[M+K]+ 222.03496 143.2
[M+H-H2O]+ 166.06906 132.6
[M+HCOO]- 228.07000 152.4
[M+CH3COO]- 242.08565 150.6
[M+Na-2H]- 204.04647 139.6
[M]+ 183.07125 137.7
[M]- 183.07235 137.7
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.