CID 3053473

4h-1-benzopyran-4-one, 6-methoxy-2-methyl-3-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C15H17NO3
SMILES
CC1=C(C(=O)C2=C(O1)C=CC(=C2)OC)N3CCCC3
InChI
InChI=1S/C15H17NO3/c1-10-14(16-7-3-4-8-16)15(17)12-9-11(18-2)5-6-13(12)19-10/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey
OUHOWQBETLQWHS-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-3-pyrrolidin-1-ylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 156.9
[M+Na]+ 282.11007 166.3
[M-H]- 258.11357 164.4
[M+NH4]+ 277.15467 174.3
[M+K]+ 298.08401 163.9
[M+H-H2O]+ 242.11811 149.6
[M+HCOO]- 304.11905 177.2
[M+CH3COO]- 318.13470 196.0
[M+Na-2H]- 280.09552 160.7
[M]+ 259.12030 159.3
[M]- 259.12140 159.3
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.