CID 44828534

1-[(tert-butoxy)carbonyl]-3-isocyanopyrrolidine

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(C1)[N+]#[C-]

InChI

InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-6-5-8(7-12)11-4/h8H,5-7H2,1-3H3

InChIKey

CCOTXXVUCIOSMC-UHFFFAOYSA-N

Compound name

tert-butyl 3-isocyanopyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 196.12119 Da
Monoisotopic Mass: 1.0
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]+	197.128466	151.4
[M+Na]+	219.110408	159.2
[M-H]-	195.113914	151.9
[M+NH4]+	214.155013	168.4
[M+K]+	235.084348	152.9
[M+H-H2O]+	179.118450	143.5
[M+HCOO]-	241.119391	166.1
[M+CH3COO]-	255.135041	185.5
[M+Na-2H]-	217.095856	154.9
[M]+	196.12064142	142.4
[M]-	196.12173858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe