CID 712289

159553-34-1

Structural Information

Molecular Formula
C12H17NOS
SMILES
C1C2CC3CC1CC(C2)C34NC(=O)CS4
InChI
InChI=1S/C12H17NOS/c14-11-6-15-12(13-11)9-2-7-1-8(4-9)5-10(12)3-7/h7-10H,1-6H2,(H,13,14)
InChIKey
SGWGCHAABBOHPD-UHFFFAOYSA-N
Compound name
spiro[1,3-thiazolidine-2,2'-adamantane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

223.10309 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.110366 145.3
[M+Na]+ 246.092308 148.4
[M-H]- 222.095814 140.6
[M+NH4]+ 241.136913 170.9
[M+K]+ 262.066248 144.7
[M+H-H2O]+ 206.100350 140.1
[M+HCOO]- 268.101291 145.8
[M+CH3COO]- 282.116941 153.7
[M+Na-2H]- 244.077756 152.3
[M]+ 223.10254142 144.4
[M]- 223.10363858 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.