CID 58201304

Methyl 3-methylpyrrolidine-3-carboxylate

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1(CCNC1)C(=O)OC

InChI

InChI=1S/C7H13NO2/c1-7(6(9)10-2)3-4-8-5-7/h8H,3-5H2,1-2H3

InChIKey

NDFMJADIWGFRLL-UHFFFAOYSA-N

Compound name

methyl 3-methylpyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 143.09464 Da
Monoisotopic Mass: 0.1
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]+	144.101916	131.1
[M+Na]+	166.083858	137.7
[M-H]-	142.087364	131.8
[M+NH4]+	161.128463	154.1
[M+K]+	182.057798	137.1
[M+H-H2O]+	126.091900	126.2
[M+HCOO]-	188.092841	151.0
[M+CH3COO]-	202.108491	169.0
[M+Na-2H]-	164.069306	135.5
[M]+	143.09409142	128.5
[M]-	143.09518858	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe