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]+ 224.11037 145.3
[M+Na]+ 246.09231 148.4
[M-H]- 222.09581 140.6
[M+NH4]+ 241.13691 170.9
[M+K]+ 262.06625 144.7
[M+H-H2O]+ 206.10035 140.1
[M+HCOO]- 268.10129 145.8
[M+CH3COO]- 282.11694 153.7
[M+Na-2H]- 244.07776 152.3
[M]+ 223.10254 144.4
[M]- 223.10364 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.