CID 99972865

Rac-(2'r,4s)-6-methoxy-2,3-dihydrospiro[1-benzopyran-4,1'-cyclopropane]-2'-carboxylic acid

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]+ 235.096476 150.6
[M+Na]+ 257.078418 160.4
[M-H]- 233.081924 157.6
[M+NH4]+ 252.123023 165.2
[M+K]+ 273.052358 159.1
[M+H-H2O]+ 217.086460 144.9
[M+HCOO]- 279.087401 168.1
[M+CH3COO]- 293.103051 191.1
[M+Na-2H]- 255.063866 157.7
[M]+ 234.08865142 154.3
[M]- 234.08974858 154.3
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.