CID 102940016

2-[(benzyloxy)methyl]-2-ethylbutanoic acid

Structural Information

Molecular Formula
C14H20O3
SMILES
CCC(CC)(COCC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C14H20O3/c1-3-14(4-2,13(15)16)11-17-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,16)
InChIKey
DSNQMEKMNUDIFZ-UHFFFAOYSA-N
Compound name
2-ethyl-2-(phenylmethoxymethyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

236.14125 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 155.8
[M+Na]+ 259.13047 166.2
[M+NH4]+ 254.17507 162.6
[M+K]+ 275.10441 160.8
[M-H]- 235.13397 155.9
[M+Na-2H]- 257.11592 160.8
[M]+ 236.14070 157.2
[M]- 236.14180 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.