CID 129958869

1262407-51-1

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₃

SMILES

CC(C)(C)OC(=O)N1CC(C1)(CN)C(=O)N

InChI

InChI=1S/C10H19N3O3/c1-9(2,3)16-8(15)13-5-10(4-11,6-13)7(12)14/h4-6,11H2,1-3H3,(H2,12,14)

InChIKey

BOSGRWTUOYBXNA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 229.14264 Da
Monoisotopic Mass: -1.4
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]+	230.149916	160.4
[M+Na]+	252.131858	163.9
[M-H]-	228.135364	161.4
[M+NH4]+	247.176463	171.3
[M+K]+	268.105798	167.2
[M+H-H2O]+	212.139900	149.3
[M+HCOO]-	274.140841	177.7
[M+CH3COO]-	288.156491	196.6
[M+Na-2H]-	250.117306	161.6
[M]+	229.14209142	167.0
[M]-	229.14318858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe