CID 124298498

Rac-(5r,6r)-7,7-dioxo-7lambda6-thia-1-azabicyclo[3.2.1]octane-6-carboxylic acid

Structural Information

Molecular Formula
C7H11NO4S
SMILES
C1C[C@H]2CN(C1)S(=O)(=O)[C@@H]2C(=O)O
InChI
InChI=1S/C7H11NO4S/c9-7(10)6-5-2-1-3-8(4-5)13(6,11)12/h5-6H,1-4H2,(H,9,10)/t5-,6-/m0/s1
InChIKey
VMEAXZONZOBPCO-WDSKDSINSA-N
Compound name
(5S,6S)-7,7-dioxo-7lambda6-thia-1-azabicyclo[3.2.1]octane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04088 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.048156 139.2
[M+Na]+ 228.030098 147.6
[M-H]- 204.033604 139.5
[M+NH4]+ 223.074703 162.1
[M+K]+ 244.004038 145.8
[M+H-H2O]+ 188.038140 135.8
[M+HCOO]- 250.039081 151.3
[M+CH3COO]- 264.054731 177.9
[M+Na-2H]- 226.015546 142.4
[M]+ 205.04033142 139.8
[M]- 205.04142858 139.8
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.