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
Annotation Hits

0
References

0
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 156.1
[M+Na]+ 259.13047 161.3
[M-H]- 235.13397 157.7
[M+NH4]+ 254.17507 173.1
[M+K]+ 275.10441 159.2
[M+H-H2O]+ 219.13851 150.1
[M+HCOO]- 281.13945 175.9
[M+CH3COO]- 295.15510 190.1
[M+Na-2H]- 257.11592 160.7
[M]+ 236.14070 158.5
[M]- 236.14180 158.5
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.