CID 11118784

Ethyl 2-[4-(2-aminoethyl)phenoxy]acetate hydrochloride

Structural Information

Molecular Formula
C12H17NO3
SMILES
CCOC(=O)COC1=CC=C(C=C1)CCN
InChI
InChI=1S/C12H17NO3/c1-2-15-12(14)9-16-11-5-3-10(4-6-11)7-8-13/h3-6H,2,7-9,13H2,1H3
InChIKey
MEEXXWXSOPKRTC-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(2-aminoethyl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

223.12085 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 150.8
[M+Na]+ 246.11007 156.9
[M-H]- 222.11357 153.6
[M+NH4]+ 241.15467 168.6
[M+K]+ 262.08401 155.3
[M+H-H2O]+ 206.11811 144.0
[M+HCOO]- 268.11905 174.6
[M+CH3COO]- 282.13470 191.1
[M+Na-2H]- 244.09552 154.6
[M]+ 223.12030 153.3
[M]- 223.12140 153.3
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

patents stripe