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

42
Patents

205.02312 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.03040 143.9
[M+Na]+ 228.01234 150.9
[M-H]- 204.01584 145.2
[M+NH4]+ 223.05694 166.5
[M+K]+ 243.98628 147.9
[M+H-H2O]+ 188.02038 140.5
[M+HCOO]- 250.02132 151.3
[M+CH3COO]- 264.03697 155.1
[M+Na-2H]- 225.99779 142.2
[M]+ 205.02257 140.3
[M]- 205.02367 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