CID 146590979

Methyl 3-(3-methoxy-3-oxopropanoyl)bicyclo[1.1.1]pentane-1-carboxylate

Structural Information

Molecular Formula
C11H14O5
SMILES
COC(=O)CC(=O)C12CC(C1)(C2)C(=O)OC
InChI
InChI=1S/C11H14O5/c1-15-8(13)3-7(12)10-4-11(5-10,6-10)9(14)16-2/h3-6H2,1-2H3
InChIKey
JREKAPQMQKPOIZ-UHFFFAOYSA-N
Compound name
methyl 3-(3-methoxy-3-oxopropanoyl)bicyclo[1.1.1]pentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

226.08412 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09140 170.9
[M+Na]+ 249.07334 172.3
[M-H]- 225.07684 173.3
[M+NH4]+ 244.11794 174.6
[M+K]+ 265.04728 179.6
[M+H-H2O]+ 209.08138 157.5
[M+HCOO]- 271.08232 181.4
[M+CH3COO]- 285.09797 214.7
[M+Na-2H]- 247.05879 173.5
[M]+ 226.08357 198.0
[M]- 226.08467 198.0
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