CID 5355747

125872-97-1

Structural Information

Molecular Formula
C11H13NO2
SMILES
CCOC(=O)/C=C/C1=CC(=CC=C1)N
InChI
InChI=1S/C11H13NO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-8H,2,12H2,1H3/b7-6+
InChIKey
UEUURYZTMLPUEE-VOTSOKGWSA-N
Compound name
ethyl (E)-3-(3-aminophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

191.09464 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 142.1
[M+Na]+ 214.083858 149.2
[M-H]- 190.087364 145.3
[M+NH4]+ 209.128463 161.3
[M+K]+ 230.057798 146.7
[M+H-H2O]+ 174.091900 135.9
[M+HCOO]- 236.092841 166.3
[M+CH3COO]- 250.108491 184.5
[M+Na-2H]- 212.069306 146.5
[M]+ 191.09409142 142.0
[M]- 191.09518858 142.0
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