CID 2063875

2-({6-oxo-6h,7h,8h,9h,10h-cyclohexa[c]chromen-3-yl}oxy)acetic acid

Structural Information

Molecular Formula
C15H14O5
SMILES
C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)O)OC2=O
InChI
InChI=1S/C15H14O5/c16-14(17)8-19-9-5-6-11-10-3-1-2-4-12(10)15(18)20-13(11)7-9/h5-7H,1-4,8H2,(H,16,17)
InChIKey
VSLUULHUGBODEF-UHFFFAOYSA-N
Compound name
2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

274.08414 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 155.8
[M+Na]+ 297.07336 163.5
[M-H]- 273.07686 160.4
[M+NH4]+ 292.11796 171.9
[M+K]+ 313.04730 161.7
[M+H-H2O]+ 257.08140 148.9
[M+HCOO]- 319.08234 173.0
[M+CH3COO]- 333.09799 196.4
[M+Na-2H]- 295.05881 162.6
[M]+ 274.08359 157.6
[M]- 274.08469 157.6
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