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]+ 230.117556 149.1
[M+Na]+ 252.099498 158.2
[M-H]- 228.103004 156.4
[M+NH4]+ 247.144103 167.6
[M+K]+ 268.073438 155.5
[M+H-H2O]+ 212.107540 142.0
[M+HCOO]- 274.108481 169.7
[M+CH3COO]- 288.124131 162.5
[M+Na-2H]- 250.084946 154.1
[M]+ 229.10973142 149.4
[M]- 229.11082858 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.