CID 62115780

Methyl 2-cyclobutoxyacetate

Structural Information

Molecular Formula
C7H12O3
SMILES
COC(=O)COC1CCC1
InChI
InChI=1S/C7H12O3/c1-9-7(8)5-10-6-3-2-4-6/h6H,2-5H2,1H3
InChIKey
YBPVIGMMACIOOG-UHFFFAOYSA-N
Compound name
methyl 2-cyclobutyloxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 126.4
[M+Na]+ 167.06786 131.5
[M-H]- 143.07136 129.8
[M+NH4]+ 162.11246 141.2
[M+K]+ 183.04180 135.3
[M+H-H2O]+ 127.07590 116.3
[M+HCOO]- 189.07684 148.1
[M+CH3COO]- 203.09249 177.0
[M+Na-2H]- 165.05331 131.7
[M]+ 144.07809 136.7
[M]- 144.07919 136.7
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