CID 121229316

2007910-70-3

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)C2CNC2

InChI

InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-9(7-13)8-4-12-5-8/h8-9,12H,4-7H2,1-3H3

InChIKey

KLVNTVBRODLLFI-UHFFFAOYSA-N

Compound name

tert-butyl 3-(azetidin-3-yl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 212.15248 Da
Monoisotopic Mass: 0.7
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]+	213.15976	147.6
[M+Na]+	235.14170	150.0
[M-H]-	211.14520	149.3
[M+NH4]+	230.18630	150.1
[M+K]+	251.11564	154.6
[M+H-H2O]+	195.14974	131.5
[M+HCOO]-	257.15068	159.7
[M+CH3COO]-	271.16633	196.6
[M+Na-2H]-	233.12715	149.4
[M]+	212.15193	161.5
[M]-	212.15303	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe