CID 84047620

Methyl n-[(azetidin-2-yl)methyl]carbamate hydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

COC(=O)NCC1CCN1

InChI

InChI=1S/C6H12N2O2/c1-10-6(9)8-4-5-2-3-7-5/h5,7H,2-4H2,1H3,(H,8,9)

InChIKey

UZCCKSNAZAENAY-UHFFFAOYSA-N

Compound name

methyl N-(azetidin-2-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 144.08987 Da
Monoisotopic Mass: -0.3
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]+	145.097146	131.7
[M+Na]+	167.079088	135.7
[M-H]-	143.082594	132.1
[M+NH4]+	162.123693	144.1
[M+K]+	183.053028	138.4
[M+H-H2O]+	127.087130	120.0
[M+HCOO]-	189.088071	151.5
[M+CH3COO]-	203.103721	176.1
[M+Na-2H]-	165.064536	136.6
[M]+	144.08932142	137.8
[M]-	144.09041858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.