CID 19428464

Schembl9060207

Structural Information

Molecular Formula

C₁₄H₁₈O₅

SMILES

CC(C)(C)OC(=O)COC1=CC(=C(C=C1)C=O)OC

InChI

InChI=1S/C14H18O5/c1-14(2,3)19-13(16)9-18-11-6-5-10(8-15)12(7-11)17-4/h5-8H,9H2,1-4H3

InChIKey

YNOMCVNBPOPQQX-UHFFFAOYSA-N

Compound name

tert-butyl 2-(4-formyl-3-methoxyphenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 266.11542 Da
Monoisotopic Mass: 2.2
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]+	267.12270	159.3
[M+Na]+	289.10464	170.1
[M+NH4]+	284.14924	165.0
[M+K]+	305.07858	165.9
[M-H]-	265.10814	158.8
[M+Na-2H]-	287.09009	163.5
[M]+	266.11487	160.5
[M]-	266.11597	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe