CID 170164213

6-(aminomethyl)-2lambda6-thiaspiro[3.3]heptane-2,2-dione hydrochloride

Structural Information

Molecular Formula
C7H13NO2S
SMILES
C1C(CC12CS(=O)(=O)C2)CN
InChI
InChI=1S/C7H13NO2S/c8-3-6-1-7(2-6)4-11(9,10)5-7/h6H,1-5,8H2
InChIKey
GGHGGNYGATWPOT-UHFFFAOYSA-N
Compound name
(2,2-dioxo-2lambda6-thiaspiro[3.3]heptan-6-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

175.0667 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 126.5
[M+Na]+ 198.05592 130.3
[M-H]- 174.05942 131.1
[M+NH4]+ 193.10052 136.5
[M+K]+ 214.02986 134.0
[M+H-H2O]+ 158.06396 113.3
[M+HCOO]- 220.06490 140.7
[M+CH3COO]- 234.08055 190.3
[M+Na-2H]- 196.04137 130.6
[M]+ 175.06615 141.9
[M]- 175.06725 141.9
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.