CID 1519407

(r)-1-boc-2-methylpyrrolidine

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

C[C@@H]1CCCN1C(=O)OC(C)(C)C

InChI

InChI=1S/C10H19NO2/c1-8-6-5-7-11(8)9(12)13-10(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1

InChIKey

PPUYUEPZGGATCN-MRVPVSSYSA-N

Compound name

tert-butyl (2R)-2-methylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 664
Patents: 185.14159 Da
Monoisotopic Mass: 2.0
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]+	186.14887	144.2
[M+Na]+	208.13081	150.7
[M-H]-	184.13431	146.2
[M+NH4]+	203.17541	164.9
[M+K]+	224.10475	150.5
[M+H-H2O]+	168.13885	138.8
[M+HCOO]-	230.13979	163.1
[M+CH3COO]-	244.15544	181.2
[M+Na-2H]-	206.11626	146.5
[M]+	185.14104	144.1
[M]-	185.14214	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe