CID 94419945

2102608-14-8

Structural Information

Molecular Formula
C12H12O3
SMILES
C1COC2=CC=CC=C2[C@]13C[C@@H]3C(=O)O
InChI
InChI=1S/C12H12O3/c13-11(14)9-7-12(9)5-6-15-10-4-2-1-3-8(10)12/h1-4,9H,5-7H2,(H,13,14)/t9-,12-/m1/s1
InChIKey
JXJOMJKPHPZPAD-BXKDBHETSA-N
Compound name
(1'S,4R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 146.7
[M+Na]+ 227.06786 160.7
[M+NH4]+ 222.11246 157.7
[M+K]+ 243.04180 154.4
[M-H]- 203.07136 157.7
[M+Na-2H]- 225.05331 155.7
[M]+ 204.07809 153.1
[M]- 204.07919 153.1
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.