CID 820759

7,8-dihydroxy-2,2-dimethylchromane-6-carboxylic acid

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09140 149.8
[M+Na]+ 261.07334 161.0
[M+NH4]+ 256.11794 157.8
[M+K]+ 277.04728 155.8
[M-H]- 237.07684 150.9
[M+Na-2H]- 259.05879 153.3
[M]+ 238.08357 151.6
[M]- 238.08467 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe