CID 10465808

91550-08-2

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

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

InChI

InChI=1S/C11H19NO3/c1-8(13)9-6-5-7-12(9)10(14)15-11(2,3)4/h9H,5-7H2,1-4H3/t9-/m0/s1

InChIKey

NNCPMJHKYIRKSA-VIFPVBQESA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 286
Patents: 213.13649 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]+	214.14377	149.9
[M+Na]+	236.12571	157.4
[M+NH4]+	231.17031	155.8
[M+K]+	252.09965	156.3
[M-H]-	212.12921	148.0
[M+Na-2H]-	234.11116	151.4
[M]+	213.13594	150.0
[M]-	213.13704	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe