CID 124710192

2059913-52-7

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 157.5
[M+Na]+ 269.11482 171.0
[M+NH4]+ 264.15942 168.0
[M+K]+ 285.08876 165.1
[M-H]- 245.11832 168.4
[M+Na-2H]- 267.10027 165.4
[M]+ 246.12505 163.9
[M]- 246.12615 163.9
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.