CID 99861

82895-28-1

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CC=CC1=C(C(=CC=C1)OC)OC

InChI

InChI=1S/C11H14O2/c1-4-6-9-7-5-8-10(12-2)11(9)13-3/h4-8H,1-3H3

InChIKey

FVUIKLBBHVVLFZ-UHFFFAOYSA-N

Compound name

1,2-dimethoxy-3-prop-1-enylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 178.09938 Da
Monoisotopic Mass: 2.9
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]+	179.106656	136.9
[M+Na]+	201.088598	145.7
[M-H]-	177.092104	141.0
[M+NH4]+	196.133203	157.7
[M+K]+	217.062538	143.9
[M+H-H2O]+	161.096640	131.4
[M+HCOO]-	223.097581	161.6
[M+CH3COO]-	237.113231	182.1
[M+Na-2H]-	199.074046	142.8
[M]+	178.09883142	140.5
[M]-	178.09992858	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe