CID 72208229

1-boc-3-aminomethyl-3-methoxyazetidine

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: 20
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]+	217.154676	153.8
[M+Na]+	239.136618	158.6
[M-H]-	215.140124	155.4
[M+NH4]+	234.181223	166.2
[M+K]+	255.110558	161.9
[M+H-H2O]+	199.144660	143.6
[M+HCOO]-	261.145601	171.8
[M+CH3COO]-	275.161251	192.1
[M+Na-2H]-	237.122066	157.4
[M]+	216.14685142	163.7
[M]-	216.14794858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe