CID 132346887

8-amino-5-thiaspiro[3.5]nonane-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C9H16N2OS
SMILES
C1CSC2(CC1N)CC(C2)C(=O)N
InChI
InChI=1S/C9H16N2OS/c10-7-1-2-13-9(5-7)3-6(4-9)8(11)12/h6-7H,1-5,10H2,(H2,11,12)
InChIKey
DZMZUBWIAXUFMY-UHFFFAOYSA-N
Compound name
8-amino-5-thiaspiro[3.5]nonane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09833 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10561 141.5
[M+Na]+ 223.08755 143.7
[M-H]- 199.09105 144.7
[M+NH4]+ 218.13215 155.1
[M+K]+ 239.06149 144.5
[M+H-H2O]+ 183.09559 129.9
[M+HCOO]- 245.09653 154.2
[M+CH3COO]- 259.11218 189.2
[M+Na-2H]- 221.07300 142.0
[M]+ 200.09778 143.0
[M]- 200.09888 143.0
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.