CID 57415859

1158758-85-0

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-6-10(4,5-11)7-12/h5-7,11H2,1-4H3

InChIKey

NUSZXESXGDKVCH-UHFFFAOYSA-N

Compound name

tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 200.15248 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]+	201.15976	151.5
[M+Na]+	223.14170	156.6
[M-H]-	199.14520	153.3
[M+NH4]+	218.18630	164.7
[M+K]+	239.11564	159.3
[M+H-H2O]+	183.14974	141.6
[M+HCOO]-	245.15068	169.3
[M+CH3COO]-	259.16633	190.1
[M+Na-2H]-	221.12715	154.9
[M]+	200.15193	160.0
[M]-	200.15303	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe