CID 2835846

Spiro(thiazolidine-2,2'-tricyclo(3.3.1.1(sup 3,7))decan)-5'-ol, hydrochloride

Structural Information

Molecular Formula
C12H19NOS
SMILES
C1CSC2(N1)C3CC4CC2CC(C4)(C3)O
InChI
InChI=1S/C12H19NOS/c14-11-5-8-3-9(6-11)12(10(4-8)7-11)13-1-2-15-12/h8-10,13-14H,1-7H2
InChIKey
CVRGPYJEPQFMMH-UHFFFAOYSA-N
Compound name
spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

225.11873 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12601 147.1
[M+Na]+ 248.10795 150.1
[M-H]- 224.11145 141.0
[M+NH4]+ 243.15255 173.8
[M+K]+ 264.08189 145.9
[M+H-H2O]+ 208.11599 141.7
[M+HCOO]- 270.11693 146.0
[M+CH3COO]- 284.13258 155.0
[M+Na-2H]- 246.09340 155.5
[M]+ 225.11818 145.5
[M]- 225.11928 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.