CID 55283806

Methyl 3-(aminomethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

COC(=O)N1CC(C1)CN

InChI

InChI=1S/C6H12N2O2/c1-10-6(9)8-3-5(2-7)4-8/h5H,2-4,7H2,1H3

InChIKey

ROBPISXCCHKNSO-UHFFFAOYSA-N

Compound name

methyl 3-(aminomethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 144.08987 Da
Monoisotopic Mass: -0.8
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]+	145.09715	131.4
[M+Na]+	167.07909	136.7
[M-H]-	143.08259	133.0
[M+NH4]+	162.12369	144.5
[M+K]+	183.05303	139.9
[M+H-H2O]+	127.08713	119.8
[M+HCOO]-	189.08807	152.0
[M+CH3COO]-	203.10372	179.1
[M+Na-2H]-	165.06454	135.1
[M]+	144.08932	138.7
[M]-	144.09042	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe