CID 17817576

Tert-butyl 2-(2-aminoethoxy)acetate

Structural Information

Molecular Formula
C8H17NO3
SMILES
CC(C)(C)OC(=O)COCCN
InChI
InChI=1S/C8H17NO3/c1-8(2,3)12-7(10)6-11-5-4-9/h4-6,9H2,1-3H3
InChIKey
OTVFRZJXVQDULI-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-aminoethoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

175.12085 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.128126 140.5
[M+Na]+ 198.110068 146.6
[M-H]- 174.113574 140.2
[M+NH4]+ 193.154673 160.5
[M+K]+ 214.084008 147.2
[M+H-H2O]+ 158.118110 135.7
[M+HCOO]- 220.119051 162.5
[M+CH3COO]- 234.134701 182.2
[M+Na-2H]- 196.095516 145.1
[M]+ 175.12030142 143.0
[M]- 175.12139858 143.0
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