CID 14036206

Methyl 4-methoxypyrrolidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

COC1CC(NC1)C(=O)OC

InChI

InChI=1S/C7H13NO3/c1-10-5-3-6(8-4-5)7(9)11-2/h5-6,8H,3-4H2,1-2H3

InChIKey

XEDZRASYGGJQCQ-UHFFFAOYSA-N

Compound name

methyl 4-methoxypyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 159.08954 Da
Monoisotopic Mass: -0.2
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]+	160.096816	134.0
[M+Na]+	182.078758	140.6
[M-H]-	158.082264	134.6
[M+NH4]+	177.123363	154.6
[M+K]+	198.052698	140.3
[M+H-H2O]+	142.086800	128.3
[M+HCOO]-	204.087741	154.1
[M+CH3COO]-	218.103391	172.6
[M+Na-2H]-	180.064206	136.5
[M]+	159.08899142	132.9
[M]-	159.09008858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe