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 151.1
[M+Na]+ 262.12360 153.9
[M-H]- 238.12710 146.0
[M+NH4]+ 257.16820 177.8
[M+K]+ 278.09754 150.3
[M+H-H2O]+ 222.13164 145.0
[M+HCOO]- 284.13258 151.1
[M+CH3COO]- 298.14823 159.1
[M+Na-2H]- 260.10905 159.1
[M]+ 239.13383 151.3
[M]- 239.13493 151.3
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.