CID 246540

1,6-bis(pyrrolidino)-2-hexyne

Structural Information

Molecular Formula

C₁₄H₂₄N₂

SMILES

C1CCN(C1)CCCC#CCN2CCCC2

InChI

InChI=1S/C14H24N2/c1(3-9-15-11-5-6-12-15)2-4-10-16-13-7-8-14-16/h1,3,5-14H2

InChIKey

RMIZJARWWRAPCN-UHFFFAOYSA-N

Compound name

1-(6-pyrrolidin-1-ylhex-2-ynyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 220.19395 Da
Monoisotopic Mass: 2.2
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]+	221.201226	152.0
[M+Na]+	243.183168	157.8
[M-H]-	219.186674	152.0
[M+NH4]+	238.227773	168.3
[M+K]+	259.157108	152.4
[M+H-H2O]+	203.191210	136.7
[M+HCOO]-	265.192151	164.2
[M+CH3COO]-	279.207801	193.9
[M+Na-2H]-	241.168616	150.6
[M]+	220.19340142	142.2
[M]-	220.19449858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe