CID 550732

Methyl 1-methylazetidine-2-carboxylate

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CN1CCC1C(=O)OC

InChI

InChI=1S/C6H11NO2/c1-7-4-3-5(7)6(8)9-2/h5H,3-4H2,1-2H3

InChIKey

OBTIFDXJYCRQBH-UHFFFAOYSA-N

Compound name

methyl 1-methylazetidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 129.07898 Da
Monoisotopic Mass: 0.4
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]+	130.08626	124.0
[M+Na]+	152.06820	130.5
[M-H]-	128.07170	126.4
[M+NH4]+	147.11280	138.5
[M+K]+	168.04214	134.0
[M+H-H2O]+	112.07624	113.6
[M+HCOO]-	174.07718	144.6
[M+CH3COO]-	188.09283	175.8
[M+Na-2H]-	150.05365	129.0
[M]+	129.07843	133.4
[M]-	129.07953	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe