CID 232667

Methyl pyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

COC(=O)N1CCCC1

InChI

InChI=1S/C6H11NO2/c1-9-6(8)7-4-2-3-5-7/h2-5H2,1H3

InChIKey

UWHWNFVVODLFIQ-UHFFFAOYSA-N

Compound name

methyl pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 607
Patents: 129.07898 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]+	130.086256	126.8
[M+Na]+	152.068198	133.4
[M-H]-	128.071704	128.7
[M+NH4]+	147.112803	149.1
[M+K]+	168.042138	133.9
[M+H-H2O]+	112.076240	120.9
[M+HCOO]-	174.077181	148.5
[M+CH3COO]-	188.092831	168.4
[M+Na-2H]-	150.053646	130.9
[M]+	129.07843142	125.3
[M]-	129.07952858	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe