CID 49461

67195-67-9

Structural Information

Molecular Formula
C14H17NO3
SMILES
CCC1=CC(=O)C2=C(O1)C(=C(C=C2)O)CN(C)C
InChI
InChI=1S/C14H17NO3/c1-4-9-7-13(17)10-5-6-12(16)11(8-15(2)3)14(10)18-9/h5-7,16H,4,8H2,1-3H3
InChIKey
VTPKETNQYUYUGS-UHFFFAOYSA-N
Compound name
8-[(dimethylamino)methyl]-2-ethyl-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12085 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 154.4
[M+Na]+ 270.11007 163.9
[M-H]- 246.11357 160.5
[M+NH4]+ 265.15467 172.0
[M+K]+ 286.08401 162.6
[M+H-H2O]+ 230.11811 147.8
[M+HCOO]- 292.11905 177.1
[M+CH3COO]- 306.13470 199.8
[M+Na-2H]- 268.09552 160.3
[M]+ 247.12030 159.4
[M]- 247.12140 159.4
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.