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: 615
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]+	130.08626	126.8
[M+Na]+	152.06820	133.4
[M-H]-	128.07170	128.7
[M+NH4]+	147.11280	149.1
[M+K]+	168.04214	133.9
[M+H-H2O]+	112.07624	120.9
[M+HCOO]-	174.07718	148.5
[M+CH3COO]-	188.09283	168.4
[M+Na-2H]-	150.05365	130.9
[M]+	129.07843	125.3
[M]-	129.07953	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe