CID 98866

16160-66-0

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

C1CCN(C1)CC#CCOC(=O)N

InChI

InChI=1S/C9H14N2O2/c10-9(12)13-8-4-3-7-11-5-1-2-6-11/h1-2,5-8H2,(H2,10,12)

InChIKey

LLNAEUTZECOHOM-UHFFFAOYSA-N

Compound name

4-pyrrolidin-1-ylbut-2-ynyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.10553 Da
Monoisotopic Mass: 0.1
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]+	183.11281	143.6
[M+Na]+	205.09475	151.1
[M+NH4]+	200.13935	146.7
[M+K]+	221.06869	145.0
[M-H]-	181.09825	135.3
[M+Na-2H]-	203.08020	143.3
[M]+	182.10498	141.0
[M]-	182.10608	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.