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]+ 207.065176 139.8
[M+Na]+ 229.047118 148.4
[M-H]- 205.050624 144.1
[M+NH4]+ 224.091723 159.9
[M+K]+ 245.021058 147.6
[M+H-H2O]+ 189.055160 134.9
[M+HCOO]- 251.056101 158.6
[M+CH3COO]- 265.071751 182.3
[M+Na-2H]- 227.032566 147.5
[M]+ 206.05735142 140.2
[M]- 206.05844858 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.