CID 40714

6-(diethylamino)-2-hexyn-1-ol

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

CCN(CC)CCCC#CCO

InChI

InChI=1S/C10H19NO/c1-3-11(4-2)9-7-5-6-8-10-12/h12H,3-5,7,9-10H2,1-2H3

InChIKey

SFKHXPCUIPLROH-UHFFFAOYSA-N

Compound name

6-(diethylamino)hex-2-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.14667 Da
Monoisotopic Mass: 1.2
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]+	170.15395	139.2
[M+Na]+	192.13589	146.4
[M-H]-	168.13939	138.4
[M+NH4]+	187.18049	157.5
[M+K]+	208.10983	145.0
[M+H-H2O]+	152.14393	128.0
[M+HCOO]-	214.14487	156.6
[M+CH3COO]-	228.16052	191.8
[M+Na-2H]-	190.12134	142.8
[M]+	169.14612	135.8
[M]-	169.14722	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.