CID 28811725

6-methyl-2h-chromene-3-carboxylic acid

Structural Information

Molecular Formula
C11H10O3
SMILES
CC1=CC2=C(C=C1)OCC(=C2)C(=O)O
InChI
InChI=1S/C11H10O3/c1-7-2-3-10-8(4-7)5-9(6-14-10)11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey
IOBSSLHZLHJYAQ-UHFFFAOYSA-N
Compound name
6-methyl-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.06299 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 136.9
[M+Na]+ 213.05221 145.4
[M-H]- 189.05571 141.2
[M+NH4]+ 208.09681 155.8
[M+K]+ 229.02615 144.1
[M+H-H2O]+ 173.06025 131.4
[M+HCOO]- 235.06119 156.8
[M+CH3COO]- 249.07684 181.0
[M+Na-2H]- 211.03766 144.3
[M]+ 190.06244 137.5
[M]- 190.06354 137.5
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