CID 155487550

2408971-57-1

Structural Information

Molecular Formula
C9H10O3
SMILES
COC(=O)C12C3C1CC(C3)C2=O
InChI
InChI=1S/C9H10O3/c1-12-8(11)9-5-2-4(7(9)10)3-6(5)9/h4-6H,2-3H2,1H3
InChIKey
FJCOXMOAWALQGW-UHFFFAOYSA-N
Compound name
methyl 7-oxotricyclo[2.2.1.02,6]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 133.9
[M+Na]+ 189.05221 144.8
[M-H]- 165.05571 136.8
[M+NH4]+ 184.09681 160.5
[M+K]+ 205.02615 141.0
[M+H-H2O]+ 149.06025 132.4
[M+HCOO]- 211.06119 151.3
[M+CH3COO]- 225.07684 147.9
[M+Na-2H]- 187.03766 140.0
[M]+ 166.06244 143.9
[M]- 166.06354 143.9
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.