CID 72208229

1392804-77-1

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₃

SMILES

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

InChI

InChI=1S/C10H20N2O3/c1-9(2,3)15-8(13)12-6-10(5-11,7-12)14-4/h5-7,11H2,1-4H3

InChIKey

WFBNSXNNEABLBC-UHFFFAOYSA-N

Compound name

tert-butyl 3-(aminomethyl)-3-methoxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 216.1474 Da
Monoisotopic Mass: -0.3
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	154.3
[M+Na]+	239.13662	157.4
[M+NH4]+	234.18122	157.2
[M+K]+	255.11056	154.5
[M-H]-	215.14012	150.1
[M+Na-2H]-	237.12207	155.0
[M]+	216.14685	152.1
[M]-	216.14795	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe