CID 2789358

2-({6-methyl-4-oxo-1h,2h,3h,4h-cyclopenta[c]chromen-7-yl}oxy)acetic acid

Structural Information

Molecular Formula
C15H14O5
SMILES
CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)O
InChI
InChI=1S/C15H14O5/c1-8-12(19-7-13(16)17)6-5-10-9-3-2-4-11(9)15(18)20-14(8)10/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKey
HKXCRPJJBYNWHW-UHFFFAOYSA-N
Compound name
2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08414 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 156.9
[M+Na]+ 297.07336 166.5
[M-H]- 273.07686 162.4
[M+NH4]+ 292.11796 175.4
[M+K]+ 313.04730 164.4
[M+H-H2O]+ 257.08140 151.6
[M+HCOO]- 319.08234 176.3
[M+CH3COO]- 333.09799 197.0
[M+Na-2H]- 295.05881 161.4
[M]+ 274.08359 161.4
[M]- 274.08469 161.4
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

No patent data available for this compound.