CID 53302213

753015-96-2

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

CC(C)(C)OC(=O)N1CCC(C1)C=C

InChI

InChI=1S/C11H19NO2/c1-5-9-6-7-12(8-9)10(13)14-11(2,3)4/h5,9H,1,6-8H2,2-4H3

InChIKey

AIWBHQLFAKSRML-UHFFFAOYSA-N

Compound name

tert-butyl 3-ethenylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 191
Patents: 197.14159 Da
Monoisotopic Mass: 2.1
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]+	198.14887	147.5
[M+Na]+	220.13081	153.8
[M-H]-	196.13431	149.3
[M+NH4]+	215.17541	167.6
[M+K]+	236.10475	152.8
[M+H-H2O]+	180.13885	142.0
[M+HCOO]-	242.13979	166.2
[M+CH3COO]-	256.15544	183.3
[M+Na-2H]-	218.11626	149.3
[M]+	197.14104	147.0
[M]-	197.14214	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe