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 156.3
[M+Na]+ 254.11515 163.9
[M-H]- 230.11865 161.7
[M+NH4]+ 249.15975 167.9
[M+K]+ 270.08909 159.9
[M+H-H2O]+ 214.12319 148.0
[M+HCOO]- 276.12413 178.4
[M+CH3COO]- 290.13978 192.3
[M+Na-2H]- 252.10060 160.8
[M]+ 231.12538 160.0
[M]- 231.12648 160.0
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.