CID 14348492

3-(benzyloxy)-2-methylpropanoic acid

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(COCC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C11H14O3/c1-9(11(12)13)7-14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)
InChIKey
PRXXYKBFWWHJGR-UHFFFAOYSA-N
Compound name
2-methyl-3-phenylmethoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

194.0943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 142.7
[M+Na]+ 217.08352 153.7
[M+NH4]+ 212.12812 150.0
[M+K]+ 233.05746 148.5
[M-H]- 193.08702 143.4
[M+Na-2H]- 215.06897 148.2
[M]+ 194.09375 144.2
[M]- 194.09485 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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