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 143.2
[M+Na]+ 227.06786 152.6
[M-H]- 203.07136 150.0
[M+NH4]+ 222.11246 158.7
[M+K]+ 243.04180 151.2
[M+H-H2O]+ 187.07590 137.5
[M+HCOO]- 249.07684 160.9
[M+CH3COO]- 263.09249 155.9
[M+Na-2H]- 225.05331 151.4
[M]+ 204.07809 144.7
[M]- 204.07919 144.7
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.