CID 2983547

633282-39-0

Structural Information

Molecular Formula
C11H10O4
SMILES
CC1(CC2=CC=CC=C2C(=O)O1)C(=O)O
InChI
InChI=1S/C11H10O4/c1-11(10(13)14)6-7-4-2-3-5-8(7)9(12)15-11/h2-5H,6H2,1H3,(H,13,14)
InChIKey
XHMJBIRHDOBCBN-UHFFFAOYSA-N
Compound name
3-methyl-1-oxo-4H-isochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

206.0579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 139.8
[M+Na]+ 229.04712 148.4
[M-H]- 205.05062 144.1
[M+NH4]+ 224.09172 159.9
[M+K]+ 245.02106 147.6
[M+H-H2O]+ 189.05516 134.9
[M+HCOO]- 251.05610 158.6
[M+CH3COO]- 265.07175 182.3
[M+Na-2H]- 227.03257 147.5
[M]+ 206.05735 140.2
[M]- 206.05845 140.2
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.