CID 12341736

68118-01-4

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CC1(CCC2=CC=CC=C2O1)CO

InChI

InChI=1S/C11H14O2/c1-11(8-12)7-6-9-4-2-3-5-10(9)13-11/h2-5,12H,6-8H2,1H3

InChIKey

IZDNTTWZMDCNJE-UHFFFAOYSA-N

Compound name

(2-methyl-3,4-dihydrochromen-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.09938 Da
Monoisotopic Mass: 1.9
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	136.9
[M+Na]+	201.08860	144.5
[M-H]-	177.09210	140.7
[M+NH4]+	196.13320	158.2
[M+K]+	217.06254	143.1
[M+H-H2O]+	161.09664	131.7
[M+HCOO]-	223.09758	155.9
[M+CH3COO]-	237.11323	177.5
[M+Na-2H]-	199.07405	146.1
[M]+	178.09883	135.8
[M]-	178.09993	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe