CID 820759

86635-77-0

Structural Information

Molecular Formula

C₁₂H₁₄O₅

SMILES

CC1(CCC2=CC(=C(C(=C2O1)O)O)C(=O)O)C

InChI

InChI=1S/C12H14O5/c1-12(2)4-3-6-5-7(11(15)16)8(13)9(14)10(6)17-12/h5,13-14H,3-4H2,1-2H3,(H,15,16)

InChIKey

CCHQYZXEIAMBRL-UHFFFAOYSA-N

Compound name

7,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 238.08412 Da
Monoisotopic Mass: 2.3
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]+	239.091396	149.2
[M+Na]+	261.073338	157.9
[M-H]-	237.076844	151.1
[M+NH4]+	256.117943	167.1
[M+K]+	277.047278	156.5
[M+H-H2O]+	221.081380	144.8
[M+HCOO]-	283.082321	164.4
[M+CH3COO]-	297.097971	186.3
[M+Na-2H]-	259.058786	154.2
[M]+	238.08357142	149.3
[M]-	238.08466858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe