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]+ 240.105276 149.9
[M+Na]+ 262.087218 153.6
[M-H]- 238.090724 143.9
[M+NH4]+ 257.131823 176.1
[M+K]+ 278.061158 149.5
[M+H-H2O]+ 222.095260 144.9
[M+HCOO]- 284.096201 148.9
[M+CH3COO]- 298.111851 157.8
[M+Na-2H]- 260.072666 158.1
[M]+ 239.09745142 149.4
[M]- 239.09854858 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.