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]+ 260.16451 160.3
[M+Na]+ 282.14645 169.5
[M-H]- 258.14995 167.5
[M+NH4]+ 277.19105 178.2
[M+K]+ 298.12039 168.0
[M+H-H2O]+ 242.15449 153.3
[M+HCOO]- 304.15543 183.6
[M+CH3COO]- 318.17108 206.2
[M+Na-2H]- 280.13190 165.5
[M]+ 259.15668 166.3
[M]- 259.15778 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.