CID 3053448

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

Structural Information

Molecular Formula
C14H15NO2
SMILES
CC1=C(C(=O)C2=CC=CC=C2O1)N3CCCC3
InChI
InChI=1S/C14H15NO2/c1-10-13(15-8-4-5-9-15)14(16)11-6-2-3-7-12(11)17-10/h2-3,6-7H,4-5,8-9H2,1H3
InChIKey
GBGKOJOFAMMYKB-UHFFFAOYSA-N
Compound name
2-methyl-3-pyrrolidin-1-ylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.11028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 149.1
[M+Na]+ 252.09950 158.2
[M-H]- 228.10300 156.4
[M+NH4]+ 247.14410 167.6
[M+K]+ 268.07344 155.5
[M+H-H2O]+ 212.10754 142.0
[M+HCOO]- 274.10848 169.7
[M+CH3COO]- 288.12413 162.5
[M+Na-2H]- 250.08495 154.1
[M]+ 229.10973 149.4
[M]- 229.11083 149.4
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.