CID 18331259

Methyl 3-aminoazetidine-1-carboxylate hydrochloride

Structural Information

Molecular Formula

C₅H₁₀N₂O₂

SMILES

COC(=O)N1CC(C1)N

InChI

InChI=1S/C5H10N2O2/c1-9-5(8)7-2-4(6)3-7/h4H,2-3,6H2,1H3

InChIKey

XEXOFGFFYFCFLM-UHFFFAOYSA-N

Compound name

methyl 3-aminoazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 130.07423 Da
Monoisotopic Mass: -1.0
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]+	131.08151	126.7
[M+Na]+	153.06345	132.5
[M-H]-	129.06695	128.6
[M+NH4]+	148.10805	140.4
[M+K]+	169.03739	135.9
[M+H-H2O]+	113.07149	115.3
[M+HCOO]-	175.07243	147.7
[M+CH3COO]-	189.08808	176.2
[M+Na-2H]-	151.04890	131.0
[M]+	130.07368	133.6
[M]-	130.07478	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe