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]+ 275.091416 156.9
[M+Na]+ 297.073358 166.5
[M-H]- 273.076864 162.4
[M+NH4]+ 292.117963 175.4
[M+K]+ 313.047298 164.4
[M+H-H2O]+ 257.081400 151.6
[M+HCOO]- 319.082341 176.3
[M+CH3COO]- 333.097991 197.0
[M+Na-2H]- 295.058806 161.4
[M]+ 274.08359142 161.4
[M]- 274.08468858 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.