CID 5373710

1-(m-methoxycinnamoyl)pyrrolidine

Structural Information

Molecular Formula
C14H17NO2
SMILES
COC1=CC=CC(=C1)/C=C/C(=O)N2CCCC2
InChI
InChI=1S/C14H17NO2/c1-17-13-6-4-5-12(11-13)7-8-14(16)15-9-2-3-10-15/h4-8,11H,2-3,9-10H2,1H3/b8-7+
InChIKey
LAPTWLCIZWFMJK-BQYQJAHWSA-N
Compound name
(E)-3-(3-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.12593 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 155.2
[M+Na]+ 254.11515 166.3
[M+NH4]+ 249.15975 162.8
[M+K]+ 270.08909 161.3
[M-H]- 230.11865 157.5
[M+Na-2H]- 252.10060 161.0
[M]+ 231.12538 157.2
[M]- 231.12648 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.