CID 3163251

6-methoxy-3,4-dihydro-2h-1-benzopyran-3-carboxylic acid

Structural Information

Molecular Formula
C11H12O4
SMILES
COC1=CC2=C(C=C1)OCC(C2)C(=O)O
InChI
InChI=1S/C11H12O4/c1-14-9-2-3-10-7(5-9)4-8(6-15-10)11(12)13/h2-3,5,8H,4,6H2,1H3,(H,12,13)
InChIKey
YFYLMFXPYODSEB-UHFFFAOYSA-N
Compound name
6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

208.07356 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 141.3
[M+Na]+ 231.06278 148.6
[M-H]- 207.06628 145.2
[M+NH4]+ 226.10738 159.3
[M+K]+ 247.03672 148.0
[M+H-H2O]+ 191.07082 135.5
[M+HCOO]- 253.07176 159.9
[M+CH3COO]- 267.08741 183.6
[M+Na-2H]- 229.04823 147.8
[M]+ 208.07301 141.9
[M]- 208.07411 141.9
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