CID 165762756

2302426-51-1

Structural Information

Molecular Formula

C₁₂H₂₀N₄O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)(C2=NC=CN2C)N

InChI

InChI=1S/C12H20N4O2/c1-11(2,3)18-10(17)16-7-12(13,8-16)9-14-5-6-15(9)4/h5-6H,7-8,13H2,1-4H3

InChIKey

FJNYOXMOJBMBAH-UHFFFAOYSA-N

Compound name

tert-butyl 3-amino-3-(1-methylimidazol-2-yl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.15863 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]+	253.165906	162.8
[M+Na]+	275.147848	168.8
[M-H]-	251.151354	165.4
[M+NH4]+	270.192453	172.9
[M+K]+	291.121788	170.4
[M+H-H2O]+	235.155890	150.5
[M+HCOO]-	297.156831	179.6
[M+CH3COO]-	311.172481	198.1
[M+Na-2H]-	273.133296	164.9
[M]+	252.15808142	171.6
[M]-	252.15917858	171.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.