CID 15281803

(3-aminopropyl)(methyl)(prop-2-yn-1-yl)amine

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

CN(CCCN)CC#C

InChI

InChI=1S/C7H14N2/c1-3-6-9(2)7-4-5-8/h1H,4-8H2,2H3

InChIKey

WIOKPPYJFWZENS-UHFFFAOYSA-N

Compound name

N'-methyl-N'-prop-2-ynylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 126.1157 Da
Monoisotopic Mass: -0.2
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]+	127.122976	128.4
[M+Na]+	149.104918	136.0
[M-H]-	125.108424	128.6
[M+NH4]+	144.149523	148.0
[M+K]+	165.078858	135.4
[M+H-H2O]+	109.112960	117.0
[M+HCOO]-	171.113901	147.9
[M+CH3COO]-	185.129551	189.2
[M+Na-2H]-	147.090366	132.9
[M]+	126.11515142	122.7
[M]-	126.11624858	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe