CID 488461

Chembl160782

Structural Information

Molecular Formula
C12H17NO3S
SMILES
C1C2CC3CC1CC(C2)C34C(=CS(=O)(=O)O4)N
InChI
InChI=1S/C12H17NO3S/c13-11-6-17(14,15)16-12(11)9-2-7-1-8(4-9)5-10(12)3-7/h6-10H,1-5,13H2
InChIKey
GWRUYMIXZCPUIQ-UHFFFAOYSA-N
Compound name
2',2'-dioxospiro[adamantane-2,5'-oxathiole]-4'-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.09291 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10019 147.7
[M+Na]+ 278.08213 153.3
[M-H]- 254.08563 146.3
[M+NH4]+ 273.12673 174.4
[M+K]+ 294.05607 151.2
[M+H-H2O]+ 238.09017 143.2
[M+HCOO]- 300.09111 151.9
[M+CH3COO]- 314.10676 157.8
[M+Na-2H]- 276.06758 158.1
[M]+ 255.09236 151.5
[M]- 255.09346 151.5
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.