CID 105868

Rsf1vfo7x1

Structural Information

Molecular Formula
C14H15NO2S
SMILES
CC1=NC2=CC3=C(C=C2S1)OC4(O3)CCCCC4
InChI
InChI=1S/C14H15NO2S/c1-9-15-10-7-11-12(8-13(10)18-9)17-14(16-11)5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKey
TYNPXUCEDICLGT-UHFFFAOYSA-N
Compound name
6-methylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazole-2,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.08234 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08962 154.0
[M+Na]+ 284.07156 165.1
[M-H]- 260.07506 162.3
[M+NH4]+ 279.11616 176.0
[M+K]+ 300.04550 163.5
[M+H-H2O]+ 244.07960 149.6
[M+HCOO]- 306.08054 168.4
[M+CH3COO]- 320.09619 167.7
[M+Na-2H]- 282.05701 158.3
[M]+ 261.08179 157.4
[M]- 261.08289 157.4
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.