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]+ 260.128126 156.9
[M+Na]+ 282.110068 166.3
[M-H]- 258.113574 164.4
[M+NH4]+ 277.154673 174.3
[M+K]+ 298.084008 163.9
[M+H-H2O]+ 242.118110 149.6
[M+HCOO]- 304.119051 177.2
[M+CH3COO]- 318.134701 196.0
[M+Na-2H]- 280.095516 160.7
[M]+ 259.12030142 159.3
[M]- 259.12139858 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.