CID 79735

Propiosyringone

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

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

InChI

InChI=1S/C11H14O4/c1-4-8(12)7-5-9(14-2)11(13)10(6-7)15-3/h5-6,13H,4H2,1-3H3

InChIKey

CXCPJZXJNRBTGF-UHFFFAOYSA-N

Compound name

1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 37
Patents: 210.0892 Da
Monoisotopic Mass: 0.7
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]+	211.09648	142.9
[M+Na]+	233.07842	151.7
[M-H]-	209.08192	146.0
[M+NH4]+	228.12302	161.7
[M+K]+	249.05236	150.6
[M+H-H2O]+	193.08646	137.4
[M+HCOO]-	255.08740	165.4
[M+CH3COO]-	269.10305	186.4
[M+Na-2H]-	231.06387	146.4
[M]+	210.08865	147.4
[M]-	210.08975	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe