CID 224163

5411-71-2

Structural Information

Molecular Formula
C9H10O4
SMILES
C1C2CC3C1C(C2C(=O)O)C(=O)O3
InChI
InChI=1S/C9H10O4/c10-8(11)6-3-1-4-5(2-3)13-9(12)7(4)6/h3-7H,1-2H2,(H,10,11)
InChIKey
HAQPSNHNVBEWRO-UHFFFAOYSA-N
Compound name
5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

66
Patents

182.0579 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 137.6
[M+Na]+ 205.04712 145.8
[M-H]- 181.05062 140.6
[M+NH4]+ 200.09172 163.6
[M+K]+ 221.02106 145.0
[M+H-H2O]+ 165.05516 136.1
[M+HCOO]- 227.05610 155.6
[M+CH3COO]- 241.07175 180.0
[M+Na-2H]- 203.03257 139.5
[M]+ 182.05735 139.1
[M]- 182.05845 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe