CID 3049517

4h-1-benzopyran-4-one, 2-(ethylmethylamino)-

Structural Information

Molecular Formula
C12H13NO2
SMILES
CCN(C)C1=CC(=O)C2=CC=CC=C2O1
InChI
InChI=1S/C12H13NO2/c1-3-13(2)12-8-10(14)9-6-4-5-7-11(9)15-12/h4-8H,3H2,1-2H3
InChIKey
MTOQSJKGVPIWMZ-UHFFFAOYSA-N
Compound name
2-[ethyl(methyl)amino]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 141.5
[M+Na]+ 226.08386 150.5
[M-H]- 202.08736 148.6
[M+NH4]+ 221.12846 161.1
[M+K]+ 242.05780 149.9
[M+H-H2O]+ 186.09190 134.8
[M+HCOO]- 248.09284 166.2
[M+CH3COO]- 262.10849 191.7
[M+Na-2H]- 224.06931 150.4
[M]+ 203.09409 145.3
[M]- 203.09519 145.3
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.