CID 129981601

1374657-78-9

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC1(CN(C1)C(=O)OC(C)(C)C)CCN

InChI

InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-11(4,8-13)5-6-12/h5-8,12H2,1-4H3

InChIKey

IXRGNGVKFPKGDI-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-aminoethyl)-3-methylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 214.16812 Da
Monoisotopic Mass: 1.0
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]+	215.175396	156.1
[M+Na]+	237.157338	160.7
[M-H]-	213.160844	157.7
[M+NH4]+	232.201943	168.8
[M+K]+	253.131278	163.3
[M+H-H2O]+	197.165380	146.0
[M+HCOO]-	259.166321	173.6
[M+CH3COO]-	273.181971	193.0
[M+Na-2H]-	235.142786	159.0
[M]+	214.16757142	165.0
[M]-	214.16866858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe