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 141.0
[M+Na]+ 204.06312 149.0
[M-H]- 180.06662 140.7
[M+NH4]+ 199.10772 168.1
[M+K]+ 220.03706 146.0
[M+H-H2O]+ 164.07116 138.2
[M+HCOO]- 226.07210 157.1
[M+CH3COO]- 240.08775 153.4
[M+Na-2H]- 202.04857 142.9
[M]+ 181.07335 139.2
[M]- 181.07445 139.2
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