CID 64115176

2-[(benzyloxy)methyl]prop-2-enoic acid

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

C=C(COCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C11H12O3/c1-9(11(12)13)7-14-8-10-5-3-2-4-6-10/h2-6H,1,7-8H2,(H,12,13)

InChIKey

FCOCHENVBZFVIX-UHFFFAOYSA-N

Compound name

2-(phenylmethoxymethyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 192.07864 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.08592	141.3
[M+Na]+	215.06786	147.4
[M-H]-	191.07136	143.2
[M+NH4]+	210.11246	159.7
[M+K]+	231.04180	145.4
[M+H-H2O]+	175.07590	135.4
[M+HCOO]-	237.07684	162.8
[M+CH3COO]-	251.09249	180.7
[M+Na-2H]-	213.05331	145.4
[M]+	192.07809	141.7
[M]-	192.07919	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe