CID 5220470

2-(2-boc-aminoethoxy)ethanol

Structural Information

Molecular Formula
C9H19NO4
SMILES
CC(C)(C)OC(=O)NCCOCCO
InChI
InChI=1S/C9H19NO4/c1-9(2,3)14-8(12)10-4-6-13-7-5-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKey
KSFVNEXYCULLEJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1257
Patents

205.13141 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.138686 148.1
[M+Na]+ 228.120628 153.3
[M-H]- 204.124134 146.7
[M+NH4]+ 223.165233 166.4
[M+K]+ 244.094568 153.6
[M+H-H2O]+ 188.128670 143.0
[M+HCOO]- 250.129611 169.1
[M+CH3COO]- 264.145261 184.7
[M+Na-2H]- 226.106076 152.8
[M]+ 205.13086142 151.5
[M]- 205.13195858 151.5
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