CID 13822996

Tert-butyl 2-methylpyrrolidine-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CC1(CCCN1)C(=O)OC(C)(C)C

InChI

InChI=1S/C10H19NO2/c1-9(2,3)13-8(12)10(4)6-5-7-11-10/h11H,5-7H2,1-4H3

InChIKey

WAOBLRSJQYXNJU-UHFFFAOYSA-N

Compound name

tert-butyl 2-methylpyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 185.14159 Da
Monoisotopic Mass: 1.4
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	144.0
[M+Na]+	208.13081	151.7
[M+NH4]+	203.17541	152.2
[M+K]+	224.10475	148.0
[M-H]-	184.13431	142.5
[M+Na-2H]-	206.11626	147.9
[M]+	185.14104	144.5
[M]-	185.14214	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe