CID 117274666

Tert-butyl 2-formyl-4,4-dimethylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC1(CC(N(C1)C(=O)OC(C)(C)C)C=O)C

InChI

InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-12(4,5)6-9(13)7-14/h7,9H,6,8H2,1-5H3

InChIKey

YAOIGHGUUSCYRF-UHFFFAOYSA-N

Compound name

tert-butyl 2-formyl-4,4-dimethylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 227.15215 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]+	228.159426	151.4
[M+Na]+	250.141368	159.0
[M-H]-	226.144874	153.8
[M+NH4]+	245.185973	172.7
[M+K]+	266.115308	158.5
[M+H-H2O]+	210.149410	147.2
[M+HCOO]-	272.150351	170.1
[M+CH3COO]-	286.166001	189.1
[M+Na-2H]-	248.126816	153.9
[M]+	227.15160142	153.5
[M]-	227.15269858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe