CID 137951916

2169461-43-0

Structural Information

Molecular Formula
C11H18O4
SMILES
CC(C)(C)OC1CC(=O)C1CC(=O)OC
InChI
InChI=1S/C11H18O4/c1-11(2,3)15-9-6-8(12)7(9)5-10(13)14-4/h7,9H,5-6H2,1-4H3
InChIKey
MFZVZUCYJXGXED-UHFFFAOYSA-N
Compound name
methyl 2-[2-[(2-methylpropan-2-yl)oxy]-4-oxocyclobutyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12051 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 145.8
[M+Na]+ 237.109728 151.5
[M-H]- 213.113234 149.5
[M+NH4]+ 232.154333 158.5
[M+K]+ 253.083668 154.8
[M+H-H2O]+ 197.117770 136.1
[M+HCOO]- 259.118711 165.0
[M+CH3COO]- 273.134361 191.8
[M+Na-2H]- 235.095176 148.4
[M]+ 214.11996142 158.4
[M]- 214.12105858 158.4
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

No patent data available for this compound.