CID 124710192

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

Structural Information

Molecular Formula
C15H18O3
SMILES
CC(C)C1=CC2=C(C=C1)OCC[C@@]23C[C@@H]3C(=O)O
InChI
InChI=1S/C15H18O3/c1-9(2)10-3-4-13-11(7-10)15(5-6-18-13)8-12(15)14(16)17/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,16,17)/t12-,15-/m1/s1
InChIKey
SVLVLBLMPIFDSD-IUODEOHRSA-N
Compound name
(1'S,4R)-6-propan-2-ylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.132876 154.9
[M+Na]+ 269.114818 163.6
[M-H]- 245.118324 161.6
[M+NH4]+ 264.159423 169.0
[M+K]+ 285.088758 161.9
[M+H-H2O]+ 229.122860 149.2
[M+HCOO]- 291.123801 170.6
[M+CH3COO]- 305.139451 195.6
[M+Na-2H]- 267.100266 159.9
[M]+ 246.12505142 157.2
[M]- 246.12614858 157.2
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.