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]+ 216.06889 147.0
[M+Na]+ 238.05083 152.6
[M-H]- 214.05433 148.0
[M+NH4]+ 233.09543 167.1
[M+K]+ 254.02477 149.5
[M+H-H2O]+ 198.05887 142.3
[M+HCOO]- 260.05981 157.2
[M+CH3COO]- 274.07546 176.4
[M+Na-2H]- 236.03628 146.9
[M]+ 215.06106 141.2
[M]- 215.06216 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.