CID 10442595

Ethyl 3-(4-aminophenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCOC(=O)CCC1=CC=C(C=C1)N
InChI
InChI=1S/C11H15NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8,12H2,1H3
InChIKey
NEXFMPAUGJAIHE-UHFFFAOYSA-N
Compound name
ethyl 3-(4-aminophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

193.11028 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.2
[M+Na]+ 216.09950 149.9
[M-H]- 192.10300 146.3
[M+NH4]+ 211.14410 162.3
[M+K]+ 232.07344 148.0
[M+H-H2O]+ 176.10754 136.9
[M+HCOO]- 238.10848 167.2
[M+CH3COO]- 252.12413 186.0
[M+Na-2H]- 214.08495 147.6
[M]+ 193.10973 143.9
[M]- 193.11083 143.9
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