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]+	127.12298	128.4
[M+Na]+	149.10492	136.0
[M-H]-	125.10842	128.6
[M+NH4]+	144.14952	148.0
[M+K]+	165.07886	135.4
[M+H-H2O]+	109.11296	117.0
[M+HCOO]-	171.11390	147.9
[M+CH3COO]-	185.12955	189.2
[M+Na-2H]-	147.09037	132.9
[M]+	126.11515	122.7
[M]-	126.11625	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe