CID 55063338

Ethyl 3-phenyl-2-[(prop-2-en-1-yl)amino]propanoate

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCOC(=O)C(CC1=CC=CC=C1)NCC=C
InChI
InChI=1S/C14H19NO2/c1-3-10-15-13(14(16)17-4-2)11-12-8-6-5-7-9-12/h3,5-9,13,15H,1,4,10-11H2,2H3
InChIKey
TWFWCAATTPKCGI-UHFFFAOYSA-N
Compound name
ethyl 3-phenyl-2-(prop-2-enylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 156.2
[M+Na]+ 256.13081 160.6
[M-H]- 232.13431 158.9
[M+NH4]+ 251.17541 173.4
[M+K]+ 272.10475 158.2
[M+H-H2O]+ 216.13885 149.1
[M+HCOO]- 278.13979 179.0
[M+CH3COO]- 292.15544 194.6
[M+Na-2H]- 254.11626 159.4
[M]+ 233.14104 157.2
[M]- 233.14214 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.