CID 110915

5,6,7,7a-tetrahydrospiro(benzothiazole-2(4h),1'-cyclohexane)

Structural Information

Molecular Formula
C12H19NS
SMILES
C1CCC2(CC1)N=C3CCCCC3S2
InChI
InChI=1S/C12H19NS/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h11H,1-9H2
InChIKey
ZTFUGGLEAJKKRV-UHFFFAOYSA-N
Compound name
spiro[5,6,7,7a-tetrahydro-4H-1,3-benzothiazole-2,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

209.12383 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.13111 147.4
[M+Na]+ 232.11305 152.4
[M-H]- 208.11655 151.1
[M+NH4]+ 227.15765 170.2
[M+K]+ 248.08699 149.2
[M+H-H2O]+ 192.12109 140.9
[M+HCOO]- 254.12203 158.3
[M+CH3COO]- 268.13768 158.4
[M+Na-2H]- 230.09850 149.4
[M]+ 209.12328 141.0
[M]- 209.12438 141.0
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