CID 6255462

33626-08-3

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O

InChI

InChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3/b3-2+

InChIKey

IHVRWFJGOIWMGC-NSCUHMNNSA-N

Compound name

5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 37
References: 280
Patents: 242.0943 Da
Monoisotopic Mass: 3.5
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]+	243.101576	153.4
[M+Na]+	265.083518	161.7
[M-H]-	241.087024	158.0
[M+NH4]+	260.128123	169.8
[M+K]+	281.057458	157.0
[M+H-H2O]+	225.091560	146.6
[M+HCOO]-	287.092501	175.3
[M+CH3COO]-	301.108151	188.1
[M+Na-2H]-	263.068966	157.9
[M]+	242.09375142	153.8
[M]-	242.09484858	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe