CID 3053450

Brn 1134726

Structural Information

Molecular Formula
C15H17NO3
SMILES
CC1=CC2=C(C=C1)OC(=C(C2=O)N3CCOCC3)C
InChI
InChI=1S/C15H17NO3/c1-10-3-4-13-12(9-10)15(17)14(11(2)19-13)16-5-7-18-8-6-16/h3-4,9H,5-8H2,1-2H3
InChIKey
MJQPQCXKMPTIDQ-UHFFFAOYSA-N
Compound name
2,6-dimethyl-3-morpholin-4-ylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 158.4
[M+Na]+ 282.11007 167.1
[M-H]- 258.11357 166.0
[M+NH4]+ 277.15467 172.4
[M+K]+ 298.08401 165.8
[M+H-H2O]+ 242.11811 149.9
[M+HCOO]- 304.11905 175.4
[M+CH3COO]- 318.13470 170.7
[M+Na-2H]- 280.09552 164.4
[M]+ 259.12030 159.1
[M]- 259.12140 159.1
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

No patent data available for this compound.