CID 59408070

Benzyl 2-(2-aminoethoxy)acetate hydrochloride

Structural Information

Molecular Formula
C11H15NO3
SMILES
C1=CC=C(C=C1)COC(=O)COCCN
InChI
InChI=1S/C11H15NO3/c12-6-7-14-9-11(13)15-8-10-4-2-1-3-5-10/h1-5H,6-9,12H2
InChIKey
HTJODGVBKFRBIC-UHFFFAOYSA-N
Compound name
benzyl 2-(2-aminoethoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.1052 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 146.4
[M+Na]+ 232.09442 152.0
[M-H]- 208.09792 149.1
[M+NH4]+ 227.13902 164.4
[M+K]+ 248.06836 150.6
[M+H-H2O]+ 192.10246 139.5
[M+HCOO]- 254.10340 170.6
[M+CH3COO]- 268.11905 186.9
[M+Na-2H]- 230.07987 151.5
[M]+ 209.10465 148.1
[M]- 209.10575 148.1
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