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]+ 232.133206 154.2
[M+Na]+ 254.115148 159.9
[M-H]- 230.118654 158.9
[M+NH4]+ 249.159753 172.2
[M+K]+ 270.089088 156.9
[M+H-H2O]+ 214.123190 146.5
[M+HCOO]- 276.124131 175.0
[M+CH3COO]- 290.139781 188.2
[M+Na-2H]- 252.100596 155.7
[M]+ 231.12538142 152.7
[M]- 231.12647858 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.