CID 24252761

65383-71-3

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

CC1(CC(C2=C(O1)C=CC(=C2)OC)O)C

InChI

InChI=1S/C12H16O3/c1-12(2)7-10(13)9-6-8(14-3)4-5-11(9)15-12/h4-6,10,13H,7H2,1-3H3

InChIKey

OGDIMNNYYGBSQY-UHFFFAOYSA-N

Compound name

6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 208.10994 Da
Monoisotopic Mass: 1.8
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]+	209.11722	143.6
[M+Na]+	231.09916	152.5
[M-H]-	207.10266	148.0
[M+NH4]+	226.14376	164.3
[M+K]+	247.07310	151.5
[M+H-H2O]+	191.10720	138.5
[M+HCOO]-	253.10814	162.4
[M+CH3COO]-	267.12379	185.0
[M+Na-2H]-	229.08461	151.1
[M]+	208.10939	145.2
[M]-	208.11049	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe