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: 15
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]+	177.090996	134.7
[M+Na]+	199.072938	144.3
[M-H]-	175.076444	139.4
[M+NH4]+	194.117543	156.6
[M+K]+	215.046878	142.8
[M+H-H2O]+	159.080980	129.8
[M+HCOO]-	221.081921	155.2
[M+CH3COO]-	235.097571	178.3
[M+Na-2H]-	197.058386	144.4
[M]+	176.08317142	135.5
[M]-	176.08426858	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe