CID 22476469

2-(1-oxo-1h-isochromen-3-yl)acetic acid

Structural Information

Molecular Formula
C11H8O4
SMILES
C1=CC=C2C(=C1)C=C(OC2=O)CC(=O)O
InChI
InChI=1S/C11H8O4/c12-10(13)6-8-5-7-3-1-2-4-9(7)11(14)15-8/h1-5H,6H2,(H,12,13)
InChIKey
SLAXQKBVDWOLFK-UHFFFAOYSA-N
Compound name
2-(1-oxoisochromen-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

204.04225 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 138.8
[M+Na]+ 227.03147 152.9
[M+NH4]+ 222.07607 146.7
[M+K]+ 243.00541 147.5
[M-H]- 203.03497 141.6
[M+Na-2H]- 225.01692 144.8
[M]+ 204.04170 141.5
[M]- 204.04280 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe