CID 389728

Nsc686320

Structural Information

Molecular Formula
C14H13NO2
SMILES
COC1=CC=CC(=C1)C2CC(=O)C3=CC=CN23
InChI
InChI=1S/C14H13NO2/c1-17-11-5-2-4-10(8-11)13-9-14(16)12-6-3-7-15(12)13/h2-8,13H,9H2,1H3
InChIKey
PXNKOVHOTUECSV-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-2,3-dihydropyrrolizin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.09464 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 149.6
[M+Na]+ 250.08386 159.4
[M-H]- 226.08736 156.8
[M+NH4]+ 245.12846 171.2
[M+K]+ 266.05780 155.8
[M+H-H2O]+ 210.09190 143.1
[M+HCOO]- 272.09284 173.3
[M+CH3COO]- 286.10849 163.6
[M+Na-2H]- 248.06931 152.2
[M]+ 227.09409 151.5
[M]- 227.09519 151.5
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.