CID 591132

2-amino-3-formyl-6,7-dimethylchromone

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC1=CC2=C(C=C1C)OC(=C(C2=O)C=O)N
InChI
InChI=1S/C12H11NO3/c1-6-3-8-10(4-7(6)2)16-12(13)9(5-14)11(8)15/h3-5H,13H2,1-2H3
InChIKey
VHPOBVWIUYMENY-UHFFFAOYSA-N
Compound name
2-amino-6,7-dimethyl-4-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

217.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.081176 143.8
[M+Na]+ 240.063118 155.7
[M-H]- 216.066624 150.2
[M+NH4]+ 235.107723 162.7
[M+K]+ 256.037058 153.5
[M+H-H2O]+ 200.071160 137.9
[M+HCOO]- 262.072101 167.7
[M+CH3COO]- 276.087751 192.8
[M+Na-2H]- 238.048566 150.4
[M]+ 217.07335142 147.5
[M]- 217.07444858 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe