CID 13633550

104224-91-1

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

CC1(CCOC2=C1C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C12H14O3/c1-12(2)5-6-15-10-4-3-8(11(13)14)7-9(10)12/h3-4,7H,5-6H2,1-2H3,(H,13,14)

InChIKey

CVBFKXGFMBOPIC-UHFFFAOYSA-N

Compound name

4,4-dimethyl-2,3-dihydrochromene-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 206.0943 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]+	207.10158	143.0
[M+Na]+	229.08352	151.0
[M-H]-	205.08702	147.1
[M+NH4]+	224.12812	163.3
[M+K]+	245.05746	149.9
[M+H-H2O]+	189.09156	137.9
[M+HCOO]-	251.09250	161.0
[M+CH3COO]-	265.10815	183.9
[M+Na-2H]-	227.06897	150.0
[M]+	206.09375	142.8
[M]-	206.09485	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe