CID 285286

7784-67-0

Structural Information

Molecular Formula

C₁₂H₁₆O₂

SMILES

CCOC1=C(C=C(C=C1)C=CC)OC

InChI

InChI=1S/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,6-9H,5H2,1-3H3

InChIKey

AOSKXPFBGRLCEG-UHFFFAOYSA-N

Compound name

1-ethoxy-2-methoxy-4-prop-1-enylbenzene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 367
Patents: 192.11504 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]+	193.122316	141.6
[M+Na]+	215.104258	150.0
[M-H]-	191.107764	145.5
[M+NH4]+	210.148863	161.9
[M+K]+	231.078198	148.0
[M+H-H2O]+	175.112300	135.9
[M+HCOO]-	237.113241	166.0
[M+CH3COO]-	251.128891	185.2
[M+Na-2H]-	213.089706	147.0
[M]+	192.11449142	145.6
[M]-	192.11558858	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe