CID 3074566

5'-methoxyspiro(thiazolidine-2,2'-tricyclo(3.3.1.1(sup 3,7))decane) hydrochloride

Structural Information

Molecular Formula
C13H21NOS
SMILES
COC12CC3CC(C1)C4(C(C3)C2)NCCS4
InChI
InChI=1S/C13H21NOS/c1-15-12-6-9-4-10(7-12)13(11(5-9)8-12)14-2-3-16-13/h9-11,14H,2-8H2,1H3
InChIKey
VDROEELGMOZLIA-UHFFFAOYSA-N
Compound name
1'-methoxyspiro[1,3-thiazolidine-2,4'-adamantane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13438 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14166 153.3
[M+Na]+ 262.12360 160.9
[M+NH4]+ 257.16820 168.1
[M+K]+ 278.09754 149.9
[M-H]- 238.12710 151.9
[M+Na-2H]- 260.10905 151.8
[M]+ 239.13383 154.7
[M]- 239.13493 154.7
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.