CID 11041281

31005-72-8

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CC1(CCC2=C(O1)C=C(C=C2)O)C

InChI

InChI=1S/C11H14O2/c1-11(2)6-5-8-3-4-9(12)7-10(8)13-11/h3-4,7,12H,5-6H2,1-2H3

InChIKey

XKZKBTFRXIAYBM-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3,4-dihydrochromen-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 178.09938 Da
Monoisotopic Mass: 2.5
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]+	179.10666	136.7
[M+Na]+	201.08860	150.4
[M+NH4]+	196.13320	147.8
[M+K]+	217.06254	142.0
[M-H]-	177.09210	140.9
[M+Na-2H]-	199.07405	144.0
[M]+	178.09883	140.1
[M]-	178.09993	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe