CID 51340927

3-(2-(2-aminoethoxy)ethoxy)propanoic acid t-butyl ester

Structural Information

Molecular Formula
C11H23NO4
SMILES
CC(C)(C)OC(=O)CCOCCOCCN
InChI
InChI=1S/C11H23NO4/c1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12/h4-9,12H2,1-3H3
InChIKey
XIVHGTLMLORWEP-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

521
Patents

233.1627 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16998 156.9
[M+Na]+ 256.15192 161.6
[M-H]- 232.15542 156.0
[M+NH4]+ 251.19652 174.4
[M+K]+ 272.12586 161.9
[M+H-H2O]+ 216.15996 151.2
[M+HCOO]- 278.16090 178.1
[M+CH3COO]- 292.17655 193.3
[M+Na-2H]- 254.13737 160.1
[M]+ 233.16215 162.0
[M]- 233.16325 162.0
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