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 154.2
[M+Na]+ 254.11515 159.9
[M-H]- 230.11865 158.9
[M+NH4]+ 249.15975 172.2
[M+K]+ 270.08909 156.9
[M+H-H2O]+ 214.12319 146.5
[M+HCOO]- 276.12413 175.0
[M+CH3COO]- 290.13978 188.2
[M+Na-2H]- 252.10060 155.7
[M]+ 231.12538 152.7
[M]- 231.12648 152.7
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.