CID 12260340

2-propenoic acid, 2-methyl-, 2-(ethylphenylamino)ethyl ester

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCN(CCOC(=O)C(=C)C)C1=CC=CC=C1
InChI
InChI=1S/C14H19NO2/c1-4-15(13-8-6-5-7-9-13)10-11-17-14(16)12(2)3/h5-9H,2,4,10-11H2,1,3H3
InChIKey
WTBIHKZYDZQMQA-UHFFFAOYSA-N
Compound name
2-(N-ethylanilino)ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

761
Patents

233.14159 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 156.0
[M+Na]+ 256.130808 160.6
[M-H]- 232.134314 160.2
[M+NH4]+ 251.175413 173.9
[M+K]+ 272.104748 159.6
[M+H-H2O]+ 216.138850 148.8
[M+HCOO]- 278.139791 179.3
[M+CH3COO]- 292.155441 198.1
[M+Na-2H]- 254.116256 158.5
[M]+ 233.14104142 158.3
[M]- 233.14213858 158.3
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

patents stripe