CID 46840011

1049730-81-5

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)5-11-4/h8,11H,5-7H2,1-4H3

InChIKey

LNDGYTKISRFVOI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 200.15248 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]+	201.15976	150.1
[M+Na]+	223.14170	154.3
[M-H]-	199.14520	152.0
[M+NH4]+	218.18630	161.6
[M+K]+	239.11564	157.3
[M+H-H2O]+	183.14974	138.6
[M+HCOO]-	245.15068	168.6
[M+CH3COO]-	259.16633	191.2
[M+Na-2H]-	221.12715	153.4
[M]+	200.15193	159.3
[M]-	200.15303	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe