CID 139026347

13158-01-5

Structural Information

Molecular Formula
C9H14O4
SMILES
COC(C1CCCC1=O)C(=O)OC
InChI
InChI=1S/C9H14O4/c1-12-8(9(11)13-2)6-4-3-5-7(6)10/h6,8H,3-5H2,1-2H3
InChIKey
WBQORVIVQHYSJE-UHFFFAOYSA-N
Compound name
methyl 2-methoxy-2-(2-oxocyclopentyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 140.0
[M+Na]+ 209.07842 146.1
[M-H]- 185.08192 143.2
[M+NH4]+ 204.12302 161.3
[M+K]+ 225.05236 146.6
[M+H-H2O]+ 169.08646 134.8
[M+HCOO]- 231.08740 161.6
[M+CH3COO]- 245.10305 180.7
[M+Na-2H]- 207.06387 141.0
[M]+ 186.08865 141.1
[M]- 186.08975 141.1
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.