CID 12462873

3,4-dihydrospiro[1-benzopyran-2,1'-cyclopentane]-4-one

Structural Information

Molecular Formula
C13H14O2
SMILES
C1CCC2(C1)CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C13H14O2/c14-11-9-13(7-3-4-8-13)15-12-6-2-1-5-10(11)12/h1-2,5-6H,3-4,7-9H2
InChIKey
ICHMJHUCIOLELS-UHFFFAOYSA-N
Compound name
spiro[3H-chromene-2,1'-cyclopentane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

202.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.106656 142.9
[M+Na]+ 225.088598 150.3
[M-H]- 201.092104 149.9
[M+NH4]+ 220.133203 165.7
[M+K]+ 241.062538 148.0
[M+H-H2O]+ 185.096640 137.2
[M+HCOO]- 247.097581 162.2
[M+CH3COO]- 261.113231 156.2
[M+Na-2H]- 223.074046 149.5
[M]+ 202.09883142 139.6
[M]- 202.09992858 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe