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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09140 149.2
[M+Na]+ 261.07334 157.9
[M-H]- 237.07684 151.1
[M+NH4]+ 256.11794 167.1
[M+K]+ 277.04728 156.5
[M+H-H2O]+ 221.08138 144.8
[M+HCOO]- 283.08232 164.4
[M+CH3COO]- 297.09797 186.3
[M+Na-2H]- 259.05879 154.2
[M]+ 238.08357 149.3
[M]- 238.08467 149.3
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