CID 23119088

8-(propan-2-yl)-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula
C12H14O2
SMILES
CC(C)C1=CC=CC2=C1OCCC2=O
InChI
InChI=1S/C12H14O2/c1-8(2)9-4-3-5-10-11(13)6-7-14-12(9)10/h3-5,8H,6-7H2,1-2H3
InChIKey
MTRPVJUSKWFGFT-UHFFFAOYSA-N
Compound name
8-propan-2-yl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

190.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 139.4
[M+Na]+ 213.088598 146.9
[M-H]- 189.092104 144.5
[M+NH4]+ 208.133203 159.0
[M+K]+ 229.062538 145.8
[M+H-H2O]+ 173.096640 133.6
[M+HCOO]- 235.097581 158.7
[M+CH3COO]- 249.113231 184.8
[M+Na-2H]- 211.074046 145.6
[M]+ 190.09883142 139.2
[M]- 190.09992858 139.2
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

patents stripe