CID 265277

5762-27-6

Structural Information

Molecular Formula
C10H8O4
SMILES
C1C(OC(=O)C2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C10H8O4/c11-9(12)8-5-6-3-1-2-4-7(6)10(13)14-8/h1-4,8H,5H2,(H,11,12)
InChIKey
AMDCSPFANXXWQC-UHFFFAOYSA-N
Compound name
1-oxo-3,4-dihydroisochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

9
Patents

192.04225 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 136.7
[M+Na]+ 215.03147 149.1
[M+NH4]+ 210.07607 144.6
[M+K]+ 231.00541 144.4
[M-H]- 191.03497 139.1
[M+Na-2H]- 213.01692 141.1
[M]+ 192.04170 139.0
[M]- 192.04280 139.0
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