CID 57302789

286456-64-2

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1C2CC3C1C(=O)NC3(C2)C(=O)O
InChI
InChI=1S/C9H11NO3/c11-7-5-1-4-2-6(5)9(3-4,10-7)8(12)13/h4-6H,1-3H2,(H,10,11)(H,12,13)
InChIKey
PBJDFNRYWNIDJL-UHFFFAOYSA-N
Compound name
5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

181.0739 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 138.9
[M+Na]+ 204.06312 144.6
[M+NH4]+ 199.10772 148.0
[M+K]+ 220.03706 144.9
[M-H]- 180.06662 135.7
[M+Na-2H]- 202.04857 137.3
[M]+ 181.07335 138.3
[M]- 181.07445 138.3
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