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]+ 247.13288 154.9
[M+Na]+ 269.11482 163.6
[M-H]- 245.11832 161.6
[M+NH4]+ 264.15942 169.0
[M+K]+ 285.08876 161.9
[M+H-H2O]+ 229.12286 149.2
[M+HCOO]- 291.12380 170.6
[M+CH3COO]- 305.13945 195.6
[M+Na-2H]- 267.10027 159.9
[M]+ 246.12505 157.2
[M]- 246.12615 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.