CID 21724707

Methyl 3-oxotricyclo[2.2.1.0,2,6]heptane-1-carboxylate

Structural Information

Molecular Formula
C9H10O3
SMILES
COC(=O)C12CC3CC1C2C3=O
InChI
InChI=1S/C9H10O3/c1-12-8(11)9-3-4-2-5(9)6(9)7(4)10/h4-6H,2-3H2,1H3
InChIKey
BTLXJRPMGWXXCL-UHFFFAOYSA-N
Compound name
methyl 3-oxotricyclo[2.2.1.02,6]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

166.06299 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 131.8
[M+Na]+ 189.05221 141.0
[M+NH4]+ 184.09681 143.5
[M+K]+ 205.02615 141.1
[M-H]- 165.05571 136.3
[M+Na-2H]- 187.03766 132.9
[M]+ 166.06244 135.4
[M]- 166.06354 135.4
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