CID 11746130

65372-54-5

Structural Information

Molecular Formula
C12H12O4
SMILES
CC1(CC(=O)C2=C(O1)C=CC(=C2)C(=O)O)C
InChI
InChI=1S/C12H12O4/c1-12(2)6-9(13)8-5-7(11(14)15)3-4-10(8)16-12/h3-5H,6H2,1-2H3,(H,14,15)
InChIKey
PTOMGSWLGSRLCK-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-oxo-3H-chromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

220.07356 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 143.7
[M+Na]+ 243.06278 152.8
[M-H]- 219.06628 148.1
[M+NH4]+ 238.10738 163.5
[M+K]+ 259.03672 151.7
[M+H-H2O]+ 203.07082 138.8
[M+HCOO]- 265.07176 162.0
[M+CH3COO]- 279.08741 186.6
[M+Na-2H]- 241.04823 150.2
[M]+ 220.07301 144.7
[M]- 220.07411 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe