CID 5874162

1-aziridinepropionic acid, cinnamyl ester

Structural Information

Molecular Formula
C14H17NO2
SMILES
C1CN1CCC(=O)OC/C=C/C2=CC=CC=C2
InChI
InChI=1S/C14H17NO2/c16-14(8-9-15-10-11-15)17-12-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2/b7-4+
InChIKey
RSXZHIIMNHPJJM-QPJJXVBHSA-N
Compound name
[(E)-3-phenylprop-2-enyl] 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 155.7
[M+Na]+ 254.11515 168.9
[M+NH4]+ 249.15975 163.6
[M+K]+ 270.08909 163.1
[M-H]- 230.11865 164.6
[M+Na-2H]- 252.10060 164.7
[M]+ 231.12538 161.1
[M]- 231.12648 161.1
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.