CID 11117257

112904-78-6

Structural Information

Molecular Formula
C11H12O4
SMILES
COC1=CC=CC2=C1CC(CO2)C(=O)O
InChI
InChI=1S/C11H12O4/c1-14-9-3-2-4-10-8(9)5-7(6-15-10)11(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKey
XMGAJGALUQJCQE-UHFFFAOYSA-N
Compound name
5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

208.07356 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.080836 141.3
[M+Na]+ 231.062778 148.6
[M-H]- 207.066284 145.2
[M+NH4]+ 226.107383 159.3
[M+K]+ 247.036718 148.0
[M+H-H2O]+ 191.070820 135.5
[M+HCOO]- 253.071761 159.9
[M+CH3COO]- 267.087411 183.6
[M+Na-2H]- 229.048226 147.8
[M]+ 208.07301142 141.9
[M]- 208.07410858 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