CID 342221

62935-72-2

Structural Information

Molecular Formula
C12H10O5
SMILES
COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O
InChI
InChI=1S/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKey
ZEKAXIFHLIITGV-UHFFFAOYSA-N
Compound name
2-(7-methoxy-2-oxochromen-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

1176
Patents

234.05283 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06011 144.9
[M+Na]+ 257.04205 154.8
[M-H]- 233.04555 149.7
[M+NH4]+ 252.08665 162.1
[M+K]+ 273.01599 153.8
[M+H-H2O]+ 217.05009 138.8
[M+HCOO]- 279.05103 166.4
[M+CH3COO]- 293.06668 188.6
[M+Na-2H]- 255.02750 152.1
[M]+ 234.05228 149.9
[M]- 234.05338 149.9
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