CID 13584982

100334-80-3

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

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

InChI

InChI=1S/C12H21NO3/c1-5-10(14)9-7-6-8-13(9)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3/t9-/m0/s1

InChIKey

HNUHHZOYMFQNQV-VIFPVBQESA-N

Compound name

tert-butyl (2S)-2-propanoylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 227.15215 Da
Monoisotopic Mass: 1.9
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]+	228.15943	154.5
[M+Na]+	250.14137	160.1
[M-H]-	226.14487	156.3
[M+NH4]+	245.18597	173.3
[M+K]+	266.11531	159.8
[M+H-H2O]+	210.14941	148.9
[M+HCOO]-	272.15035	172.2
[M+CH3COO]-	286.16600	189.2
[M+Na-2H]-	248.12682	154.9
[M]+	227.15160	155.3
[M]-	227.15270	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe