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]+ 192.03250 136.7
[M+Na]+ 214.01444 146.7
[M-H]- 190.01794 137.6
[M+NH4]+ 209.05904 163.7
[M+K]+ 229.98838 145.4
[M+H-H2O]+ 174.02248 134.7
[M+HCOO]- 236.02342 151.4
[M+CH3COO]- 250.03907 173.5
[M+Na-2H]- 211.99989 141.0
[M]+ 191.02467 139.4
[M]- 191.02577 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.