CID 145913506

2377036-23-0

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

CC1CC(CN1CCC#C)(C)C

InChI

InChI=1S/C11H19N/c1-5-6-7-12-9-11(3,4)8-10(12)2/h1,10H,6-9H2,2-4H3

InChIKey

UTMKEABQMWDWOU-UHFFFAOYSA-N

Compound name

1-but-3-ynyl-2,4,4-trimethylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.15175 Da
Monoisotopic Mass: 2.6
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]+	166.15903	135.2
[M+Na]+	188.14097	145.8
[M+NH4]+	183.18557	141.5
[M+K]+	204.11491	136.5
[M-H]-	164.14447	128.4
[M+Na-2H]-	186.12642	138.0
[M]+	165.15120	134.1
[M]-	165.15230	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.