CID 3163250

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

Structural Information

Molecular Formula
C11H12O4
SMILES
COC1=CC=CC2=C1OCC(C2)C(=O)O
InChI
InChI=1S/C11H12O4/c1-14-9-4-2-3-7-5-8(11(12)13)6-15-10(7)9/h2-4,8H,5-6H2,1H3,(H,12,13)
InChIKey
FTXQMXYVEKCYAO-UHFFFAOYSA-N
Compound name
8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
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

literature stripe

Patent stripe

patents stripe