CID 380149

2-methylchroman

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

CC1CCC2=CC=CC=C2O1

InChI

InChI=1S/C10H12O/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-5,8H,6-7H2,1H3

InChIKey

KGALVPYTKQIBAA-UHFFFAOYSA-N

Compound name

2-methyl-3,4-dihydro-2H-chromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 426
Patents: 148.08882 Da
Monoisotopic Mass: 2.7
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]+	149.09610	127.9
[M+Na]+	171.07804	135.4
[M-H]-	147.08154	132.9
[M+NH4]+	166.12264	149.1
[M+K]+	187.05198	134.4
[M+H-H2O]+	131.08608	122.4
[M+HCOO]-	193.08702	148.6
[M+CH3COO]-	207.10267	142.0
[M+Na-2H]-	169.06349	137.2
[M]+	148.08827	126.5
[M]-	148.08937	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe