CID 20010

4079-68-9

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CCN(CC)CC#C

InChI

InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h1H,5-7H2,2-3H3

InChIKey

JZJXKEWVUBVOEH-UHFFFAOYSA-N

Compound name

N,N-diethylprop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1123
Patents: 111.1048 Da
Monoisotopic Mass: 1.1
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]+	112.11208	122.6
[M+Na]+	134.09402	131.2
[M-H]-	110.09752	123.6
[M+NH4]+	129.13862	143.5
[M+K]+	150.06796	130.8
[M+H-H2O]+	94.102060	111.8
[M+HCOO]-	156.10300	141.9
[M+CH3COO]-	170.11865	185.6
[M+Na-2H]-	132.07947	128.2
[M]+	111.10425	118.8
[M]-	111.10535	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe