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 149.9
[M+Na]+ 262.08722 153.6
[M-H]- 238.09072 143.9
[M+NH4]+ 257.13182 176.1
[M+K]+ 278.06116 149.5
[M+H-H2O]+ 222.09526 144.9
[M+HCOO]- 284.09620 148.9
[M+CH3COO]- 298.11185 157.8
[M+Na-2H]- 260.07267 158.1
[M]+ 239.09745 149.4
[M]- 239.09855 149.4
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.