CID 165478321

2138395-17-0

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₄

SMILES

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

InChI

InChI=1S/C14H26N2O4/c1-12(2,3)19-10(17)14(7-15)8-16(9-14)11(18)20-13(4,5)6/h7-9,15H2,1-6H3

InChIKey

RBAVGNXQMXEYQX-UHFFFAOYSA-N

Compound name

ditert-butyl 3-(aminomethyl)azetidine-1,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.18927 Da
Monoisotopic Mass: 0.6
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]+	287.196546	174.2
[M+Na]+	309.178488	177.5
[M-H]-	285.181994	175.4
[M+NH4]+	304.223093	183.8
[M+K]+	325.152428	181.1
[M+H-H2O]+	269.186530	164.1
[M+HCOO]-	331.187471	188.6
[M+CH3COO]-	345.203121	205.0
[M+Na-2H]-	307.163936	175.7
[M]+	286.18872142	184.8
[M]-	286.18981858	184.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.