CID 99972865

2307736-46-3

Structural Information

Molecular Formula
C13H14O4
SMILES
COC1=CC2=C(C=C1)OCC[C@@]23C[C@@H]3C(=O)O
InChI
InChI=1S/C13H14O4/c1-16-8-2-3-11-9(6-8)13(4-5-17-11)7-10(13)12(14)15/h2-3,6,10H,4-5,7H2,1H3,(H,14,15)/t10-,13-/m1/s1
InChIKey
BNDAPGQFYAJKCQ-ZWNOBZJWSA-N
Compound name
(1'S,4R)-6-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0892 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 153.3
[M+Na]+ 257.07842 167.0
[M+NH4]+ 252.12302 163.6
[M+K]+ 273.05236 161.2
[M-H]- 233.08192 163.9
[M+Na-2H]- 255.06387 161.5
[M]+ 234.08865 159.6
[M]- 234.08975 159.6
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

No patent data available for this compound.