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

13
Patents

181.0739 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 141.0
[M+Na]+ 204.063118 149.0
[M-H]- 180.066624 140.7
[M+NH4]+ 199.107723 168.1
[M+K]+ 220.037058 146.0
[M+H-H2O]+ 164.071160 138.2
[M+HCOO]- 226.072101 157.1
[M+CH3COO]- 240.087751 153.4
[M+Na-2H]- 202.048566 142.9
[M]+ 181.07335142 139.2
[M]- 181.07444858 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