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: 273
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]+	214.143766	149.8
[M+Na]+	236.125708	155.8
[M-H]-	212.129214	151.8
[M+NH4]+	231.170313	169.2
[M+K]+	252.099648	155.8
[M+H-H2O]+	196.133750	144.4
[M+HCOO]-	258.134691	167.8
[M+CH3COO]-	272.150341	186.2
[M+Na-2H]-	234.111156	150.7
[M]+	213.13594142	150.2
[M]-	213.13703858	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe