CID 82613968

2825007-65-4

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₃

SMILES

CC(C)(C)OC(=O)N1CC(C1)C(CN)O

InChI

InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-7(6-12)8(13)4-11/h7-8,13H,4-6,11H2,1-3H3

InChIKey

JTCYRQZFSHTYFE-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 216.1474 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.15468	156.2
[M+Na]+	239.13662	159.3
[M-H]-	215.14012	156.1
[M+NH4]+	234.18122	165.7
[M+K]+	255.11056	162.2
[M+H-H2O]+	199.14466	144.4
[M+HCOO]-	261.14560	171.6
[M+CH3COO]-	275.16125	191.0
[M+Na-2H]-	237.12207	156.5
[M]+	216.14685	163.1
[M]-	216.14795	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe