CID 72207769

1352012-69-1

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)C2(CC2)N

InChI

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-6-8(7-13)11(12)4-5-11/h8H,4-7,12H2,1-3H3

InChIKey

QOVIOMOTHJUKFA-UHFFFAOYSA-N

Compound name

tert-butyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 212.15248 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]+	213.159756	153.9
[M+Na]+	235.141698	160.3
[M-H]-	211.145204	159.5
[M+NH4]+	230.186303	162.2
[M+K]+	251.115638	161.8
[M+H-H2O]+	195.149740	143.8
[M+HCOO]-	257.150681	171.7
[M+CH3COO]-	271.166331	194.4
[M+Na-2H]-	233.127146	157.4
[M]+	212.15193142	163.8
[M]-	212.15302858	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe