CID 362427

113967-26-3

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

CC1(CCOC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C11H12O3/c1-11(10(12)13)6-7-14-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H,12,13)

InChIKey

KHAVLDCFXFKBLD-UHFFFAOYSA-N

Compound name

4-methyl-2,3-dihydrochromene-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 192.07864 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]+	193.08592	139.9
[M+Na]+	215.06786	152.3
[M+NH4]+	210.11246	149.9
[M+K]+	231.04180	144.9
[M-H]-	191.07136	143.0
[M+Na-2H]-	213.05331	146.4
[M]+	192.07809	142.6
[M]-	192.07919	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe