CID 3020842

85614-43-3

Structural Information

Molecular Formula

C₁₂H₁₄O₄

SMILES

COC1=CC(=CC(=C1O)C(=O)OC)CC=C

InChI

InChI=1S/C12H14O4/c1-4-5-8-6-9(12(14)16-3)11(13)10(7-8)15-2/h4,6-7,13H,1,5H2,2-3H3

InChIKey

LYSUGZLJKRSLHM-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 43
Patents: 222.0892 Da
Monoisotopic Mass: 3.0
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]+	223.09648	148.3
[M+Na]+	245.07842	160.1
[M+NH4]+	240.12302	154.7
[M+K]+	261.05236	155.0
[M-H]-	221.08192	148.5
[M+Na-2H]-	243.06387	152.6
[M]+	222.08865	149.8
[M]-	222.08975	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe