CID 12811394

75776-79-3

Structural Information

Molecular Formula
C7H11NO2S2
SMILES
C1CSC2(S1)C[C@H](NC2)C(=O)O
InChI
InChI=1S/C7H11NO2S2/c9-6(10)5-3-7(4-8-5)11-1-2-12-7/h5,8H,1-4H2,(H,9,10)/t5-/m0/s1
InChIKey
PRRCQQGBVXMEKW-YFKPBYRVSA-N
Compound name
(8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

205.02312 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.030396 143.9
[M+Na]+ 228.012338 150.9
[M-H]- 204.015844 145.2
[M+NH4]+ 223.056943 166.5
[M+K]+ 243.986278 147.9
[M+H-H2O]+ 188.020380 140.5
[M+HCOO]- 250.021321 151.3
[M+CH3COO]- 264.036971 155.1
[M+Na-2H]- 225.997786 142.2
[M]+ 205.02257142 140.3
[M]- 205.02366858 140.3
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

patents stripe