CID 3063438

Rec 7-0113

Structural Information

Molecular Formula
C16H21NO2
SMILES
CCN(CC)CC1=CC2=C(C=C1)OC(=C(C2=O)C)C
InChI
InChI=1S/C16H21NO2/c1-5-17(6-2)10-13-7-8-15-14(9-13)16(18)11(3)12(4)19-15/h7-9H,5-6,10H2,1-4H3
InChIKey
CYHHTPXLEZFYRM-UHFFFAOYSA-N
Compound name
6-(diethylaminomethyl)-2,3-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.164506 160.3
[M+Na]+ 282.146448 169.5
[M-H]- 258.149954 167.5
[M+NH4]+ 277.191053 178.2
[M+K]+ 298.120388 168.0
[M+H-H2O]+ 242.154490 153.3
[M+HCOO]- 304.155431 183.6
[M+CH3COO]- 318.171081 206.2
[M+Na-2H]- 280.131896 165.5
[M]+ 259.15668142 166.3
[M]- 259.15777858 166.3
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.