CID 15297967

114214-71-0

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

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

InChI

InChI=1S/C10H17NO2/c1-8-5-6-11(7-8)9(12)13-10(2,3)4/h1,5-7H2,2-4H3

InChIKey

PXTONRTYYUAUJU-UHFFFAOYSA-N

Compound name

tert-butyl 3-methylidenepyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 248
Patents: 183.12593 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]+	184.133206	142.8
[M+Na]+	206.115148	149.6
[M-H]-	182.118654	144.9
[M+NH4]+	201.159753	163.5
[M+K]+	222.089088	148.8
[M+H-H2O]+	166.123190	137.5
[M+HCOO]-	228.124131	161.9
[M+CH3COO]-	242.139781	180.3
[M+Na-2H]-	204.100596	145.2
[M]+	183.12538142	142.0
[M]-	183.12647858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe