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]+ 260.128126 158.4
[M+Na]+ 282.110068 167.1
[M-H]- 258.113574 166.0
[M+NH4]+ 277.154673 172.4
[M+K]+ 298.084008 165.8
[M+H-H2O]+ 242.118110 149.9
[M+HCOO]- 304.119051 175.4
[M+CH3COO]- 318.134701 170.7
[M+Na-2H]- 280.095516 164.4
[M]+ 259.12030142 159.1
[M]- 259.12139858 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.