CID 5534

Tremorine

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

C1CCN(C1)CC#CCN2CCCC2

InChI

InChI=1S/C12H20N2/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-4,7-12H2

InChIKey

JSUAJTLKVREZHV-UHFFFAOYSA-N

Compound name

1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 387
References: 737
Patents: 192.16264 Da
Monoisotopic Mass: 1.3
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]+	193.169916	144.4
[M+Na]+	215.151858	151.0
[M-H]-	191.155364	144.7
[M+NH4]+	210.196463	161.7
[M+K]+	231.125798	146.0
[M+H-H2O]+	175.159900	129.4
[M+HCOO]-	237.160841	157.2
[M+CH3COO]-	251.176491	153.8
[M+Na-2H]-	213.137306	143.9
[M]+	192.16209142	134.0
[M]-	192.16318858	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe