CID 145909468

2377031-45-1

Structural Information

Molecular Formula
C6H9NO4S
SMILES
C1CN2CC1(CS2(=O)=O)C(=O)O
InChI
InChI=1S/C6H9NO4S/c8-5(9)6-1-2-7(3-6)12(10,11)4-6/h1-4H2,(H,8,9)
InChIKey
VGZOLVOYEHQOMI-UHFFFAOYSA-N
Compound name
2,2-dioxo-2lambda6-thia-1-azabicyclo[2.2.1]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.02522 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.032496 136.7
[M+Na]+ 214.014438 146.7
[M-H]- 190.017944 137.6
[M+NH4]+ 209.059043 163.7
[M+K]+ 229.988378 145.4
[M+H-H2O]+ 174.022480 134.7
[M+HCOO]- 236.023421 151.4
[M+CH3COO]- 250.039071 173.5
[M+Na-2H]- 211.999886 141.0
[M]+ 191.02467142 139.4
[M]- 191.02576858 139.4
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.