CID 14792433

2,2-dimethyl-2h-chromen-5-ol

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

CC1(C=CC2=C(C=CC=C2O1)O)C

InChI

InChI=1S/C11H12O2/c1-11(2)7-6-8-9(12)4-3-5-10(8)13-11/h3-7,12H,1-2H3

InChIKey

SHBLUYDDXWADNS-UHFFFAOYSA-N

Compound name

2,2-dimethylchromen-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 176.08372 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]+	177.09100	135.0
[M+Na]+	199.07294	149.6
[M+NH4]+	194.11754	146.2
[M+K]+	215.04688	141.1
[M-H]-	175.07644	139.5
[M+Na-2H]-	197.05839	143.3
[M]+	176.08317	138.7
[M]-	176.08427	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe