CID 170917656

2955712-78-2

Structural Information

Molecular Formula
C7H9NO4
SMILES
C1C2CNC(=O)C1(CO2)C(=O)O
InChI
InChI=1S/C7H9NO4/c9-5-7(6(10)11)1-4(2-8-5)12-3-7/h4H,1-3H2,(H,8,9)(H,10,11)
InChIKey
YMZINRHNIDOMAF-UHFFFAOYSA-N
Compound name
2-oxo-6-oxa-3-azabicyclo[3.2.1]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05316 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 132.6
[M+Na]+ 194.042378 139.7
[M-H]- 170.045884 131.9
[M+NH4]+ 189.086983 154.0
[M+K]+ 210.016318 138.9
[M+H-H2O]+ 154.050420 128.6
[M+HCOO]- 216.051361 147.4
[M+CH3COO]- 230.067011 171.1
[M+Na-2H]- 192.027826 139.0
[M]+ 171.05261142 129.5
[M]- 171.05370858 129.5
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.