CID 27574

15944-43-1

Structural Information

Molecular Formula

C₁₅H₁₇ClN₂O₂

SMILES

C1CCN(C1)CC#CCOC(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H17ClN2O2/c16-13-6-5-7-14(12-13)17-15(19)20-11-4-3-10-18-8-1-2-9-18/h5-7,12H,1-2,8-11H2,(H,17,19)

InChIKey

ARFAGUMSEYHDPD-UHFFFAOYSA-N

Compound name

4-pyrrolidin-1-ylbut-2-ynyl N-(3-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 292.09787 Da
Monoisotopic Mass: 2.7
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]+	293.10515	169.2
[M+Na]+	315.08709	177.4
[M-H]-	291.09059	171.2
[M+NH4]+	310.13169	183.3
[M+K]+	331.06103	170.0
[M+H-H2O]+	275.09513	155.2
[M+HCOO]-	337.09607	180.5
[M+CH3COO]-	351.11172	204.1
[M+Na-2H]-	313.07254	169.2
[M]+	292.09732	163.6
[M]-	292.09842	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe