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]+ 226.126006 147.1
[M+Na]+ 248.107948 150.1
[M-H]- 224.111454 141.0
[M+NH4]+ 243.152553 173.8
[M+K]+ 264.081888 145.9
[M+H-H2O]+ 208.115990 141.7
[M+HCOO]- 270.116931 146.0
[M+CH3COO]- 284.132581 155.0
[M+Na-2H]- 246.093396 155.5
[M]+ 225.11818142 145.5
[M]- 225.11927858 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.