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]+ 145.068156 118.7
[M+Na]+ 167.050098 122.8
[M-H]- 143.053604 123.0
[M+NH4]+ 162.094703 130.1
[M+K]+ 183.024038 126.5
[M+H-H2O]+ 127.058140 106.9
[M+HCOO]- 189.059081 131.5
[M+CH3COO]- 203.074731 183.2
[M+Na-2H]- 165.035546 124.0
[M]+ 144.06033142 134.0
[M]- 144.06142858 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.