CID 617472

Thebaol

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

COC1=CC2=C(C=CC3=C2C(=C(C=C3)OC)O)C=C1

InChI

InChI=1S/C16H14O3/c1-18-12-7-5-10-3-4-11-6-8-14(19-2)16(17)15(11)13(10)9-12/h3-9,17H,1-2H3

InChIKey

GKDSKCYMUUXQLA-UHFFFAOYSA-N

Compound name

3,6-dimethoxyphenanthren-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 254.0943 Da
Monoisotopic Mass: 4.0
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]+	255.101576	154.1
[M+Na]+	277.083518	165.2
[M-H]-	253.087024	159.4
[M+NH4]+	272.128123	173.2
[M+K]+	293.057458	161.0
[M+H-H2O]+	237.091560	147.3
[M+HCOO]-	299.092501	176.3
[M+CH3COO]-	313.108151	167.6
[M+Na-2H]-	275.068966	162.6
[M]+	254.09375142	159.3
[M]-	254.09484858	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe