CID 16227831

(8s)-10-oxo-6-thia-9-azaspiro[4.5]decane-8-carboxylic acid

Structural Information

Molecular Formula
C9H13NO3S
SMILES
C1CCC2(C1)C(=O)N[C@H](CS2)C(=O)O
InChI
InChI=1S/C9H13NO3S/c11-7(12)6-5-14-9(8(13)10-6)3-1-2-4-9/h6H,1-5H2,(H,10,13)(H,11,12)/t6-/m1/s1
InChIKey
LDSWDQBHTRFIAY-ZCFIWIBFSA-N
Compound name
(8S)-10-oxo-6-thia-9-azaspiro[4.5]decane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06161 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.068886 147.0
[M+Na]+ 238.050828 152.6
[M-H]- 214.054334 148.0
[M+NH4]+ 233.095433 167.1
[M+K]+ 254.024768 149.5
[M+H-H2O]+ 198.058870 142.3
[M+HCOO]- 260.059811 157.2
[M+CH3COO]- 274.075461 176.4
[M+Na-2H]- 236.036276 146.9
[M]+ 215.06106142 141.2
[M]- 215.06215858 141.2
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.