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

4
Patents

226.08412 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.091396 170.9
[M+Na]+ 249.073338 172.3
[M-H]- 225.076844 173.3
[M+NH4]+ 244.117943 174.6
[M+K]+ 265.047278 179.6
[M+H-H2O]+ 209.081380 157.5
[M+HCOO]- 271.082321 181.4
[M+CH3COO]- 285.097971 214.7
[M+Na-2H]- 247.058786 173.5
[M]+ 226.08357142 198.0
[M]- 226.08466858 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