CID 22951485

Tert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC1(CCN(C1)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C10H19NO3/c1-9(2,3)14-8(12)11-6-5-10(4,13)7-11/h13H,5-7H2,1-4H3

InChIKey

FXYJNVGRFDRSKS-UHFFFAOYSA-N

Compound name

tert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 201.13649 Da
Monoisotopic Mass: 0.8
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]+	202.143766	146.3
[M+Na]+	224.125708	153.1
[M-H]-	200.129214	147.2
[M+NH4]+	219.170313	167.6
[M+K]+	240.099648	152.8
[M+H-H2O]+	184.133750	142.2
[M+HCOO]-	246.134691	163.9
[M+CH3COO]-	260.150341	180.2
[M+Na-2H]-	222.111156	149.7
[M]+	201.13594142	146.0
[M]-	201.13703858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe