CID 3074573

159553-35-2

Structural Information

Molecular Formula
C12H17NO2S
SMILES
C1C2CC3CC(C2)(CC1C34NC(=O)CS4)O
InChI
InChI=1S/C12H17NO2S/c14-10-6-16-12(13-10)8-1-7-2-9(12)5-11(15,3-7)4-8/h7-9,15H,1-6H2,(H,13,14)
InChIKey
XSPSVNVVYYYHBL-UHFFFAOYSA-N
Compound name
1'-hydroxyspiro[1,3-thiazolidine-2,4'-adamantane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.098 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10528 150.9
[M+Na]+ 262.08722 158.0
[M+NH4]+ 257.13182 164.6
[M+K]+ 278.06116 148.1
[M-H]- 238.09072 148.2
[M+Na-2H]- 260.07267 148.5
[M]+ 239.09745 151.7
[M]- 239.09855 151.7
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.