CID 2098038

1454804-54-6

Structural Information

Molecular Formula

C₁₄H₁₈O₄

SMILES

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

InChI

InChI=1S/C14H18O4/c1-10(2)9-18-12-6-4-11(5-7-14(15)16)8-13(12)17-3/h4-8,10H,9H2,1-3H3,(H,15,16)/b7-5+

InChIKey

MZXJPLQWXLYEGR-FNORWQNLSA-N

Compound name

(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 250.12051 Da
Monoisotopic Mass: 3.2
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]+	251.127786	156.6
[M+Na]+	273.109728	163.2
[M-H]-	249.113234	158.8
[M+NH4]+	268.154333	173.3
[M+K]+	289.083668	161.2
[M+H-H2O]+	233.117770	150.4
[M+HCOO]-	295.118711	177.3
[M+CH3COO]-	309.134361	193.6
[M+Na-2H]-	271.095176	157.9
[M]+	250.11996142	160.3
[M]-	250.12105858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe