CID 3049516

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

Structural Information

Molecular Formula
C11H11NO2
SMILES
CN(C)C1=CC(=O)C2=CC=CC=C2O1
InChI
InChI=1S/C11H11NO2/c1-12(2)11-7-9(13)8-5-3-4-6-10(8)14-11/h3-7H,1-2H3
InChIKey
GAAWVNYLMWBWQJ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

189.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 136.6
[M+Na]+ 212.068198 146.1
[M-H]- 188.071704 143.9
[M+NH4]+ 207.112803 156.8
[M+K]+ 228.042138 145.8
[M+H-H2O]+ 172.076240 130.2
[M+HCOO]- 234.077181 161.7
[M+CH3COO]- 248.092831 188.7
[M+Na-2H]- 210.053646 146.1
[M]+ 189.07843142 140.1
[M]- 189.07952858 140.1
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