CID 155894933

6-methyl-2-thiaspiro[3.3]heptan-6-ol

Structural Information

Molecular Formula
C7H12OS
SMILES
CC1(CC2(C1)CSC2)O
InChI
InChI=1S/C7H12OS/c1-6(8)2-7(3-6)4-9-5-7/h8H,2-5H2,1H3
InChIKey
BLFDSAHPFATDRE-UHFFFAOYSA-N
Compound name
6-methyl-2-thiaspiro[3.3]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.06088 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06816 118.7
[M+Na]+ 167.05010 122.8
[M-H]- 143.05360 123.0
[M+NH4]+ 162.09470 130.1
[M+K]+ 183.02404 126.5
[M+H-H2O]+ 127.05814 106.9
[M+HCOO]- 189.05908 131.5
[M+CH3COO]- 203.07473 183.2
[M+Na-2H]- 165.03555 124.0
[M]+ 144.06033 134.0
[M]- 144.06143 134.0
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

No patent data available for this compound.