CID 43155009

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

Structural Information

Molecular Formula
C13H16O2
SMILES
CC1=C2C(=O)CCOC2=C(C=C1)C(C)C
InChI
InChI=1S/C13H16O2/c1-8(2)10-5-4-9(3)12-11(14)6-7-15-13(10)12/h4-5,8H,6-7H2,1-3H3
InChIKey
XITYNXKNYIMCDC-UHFFFAOYSA-N
Compound name
5-methyl-8-propan-2-yl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 143.6
[M+Na]+ 227.10426 151.6
[M-H]- 203.10776 149.0
[M+NH4]+ 222.14886 163.0
[M+K]+ 243.07820 150.4
[M+H-H2O]+ 187.11230 137.9
[M+HCOO]- 249.11324 162.6
[M+CH3COO]- 263.12889 189.0
[M+Na-2H]- 225.08971 148.7
[M]+ 204.11449 144.2
[M]- 204.11559 144.2
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