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]+ 235.09648 150.6
[M+Na]+ 257.07842 160.4
[M-H]- 233.08192 157.6
[M+NH4]+ 252.12302 165.2
[M+K]+ 273.05236 159.1
[M+H-H2O]+ 217.08646 144.9
[M+HCOO]- 279.08740 168.1
[M+CH3COO]- 293.10305 191.1
[M+Na-2H]- 255.06387 157.7
[M]+ 234.08865 154.3
[M]- 234.08975 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.