CID 656870

2-hydroxy-8-methylchromene-2-carboxylate

Structural Information

Molecular Formula
C11H10O4
SMILES
CC1=C2C(=CC=C1)C=CC(O2)(C(=O)O)O
InChI
InChI=1S/C11H10O4/c1-7-3-2-4-8-5-6-11(14,10(12)13)15-9(7)8/h2-6,14H,1H3,(H,12,13)
InChIKey
NDNLINRFIZVPBU-UHFFFAOYSA-N
Compound name
2-hydroxy-8-methylchromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

206.0579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 140.7
[M+Na]+ 229.047118 149.6
[M-H]- 205.050624 144.0
[M+NH4]+ 224.091723 160.3
[M+K]+ 245.021058 148.3
[M+H-H2O]+ 189.055160 135.9
[M+HCOO]- 251.056101 159.2
[M+CH3COO]- 265.071751 180.3
[M+Na-2H]- 227.032566 148.8
[M]+ 206.05735142 141.4
[M]- 206.05844858 141.4
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