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]+ 237.148526 156.1
[M+Na]+ 259.130468 161.3
[M-H]- 235.133974 157.7
[M+NH4]+ 254.175073 173.1
[M+K]+ 275.104408 159.2
[M+H-H2O]+ 219.138510 150.1
[M+HCOO]- 281.139451 175.9
[M+CH3COO]- 295.155101 190.1
[M+Na-2H]- 257.115916 160.7
[M]+ 236.14070142 158.5
[M]- 236.14179858 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.