CID 21062197

(2-aminoethyl)(cyclopropylmethyl)amine dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C1CC1CNCCN

InChI

InChI=1S/C6H14N2/c7-3-4-8-5-6-1-2-6/h6,8H,1-5,7H2

InChIKey

LJGMFMZLKFEDGU-UHFFFAOYSA-N

Compound name

N'-(cyclopropylmethyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 114.1157 Da
Monoisotopic Mass: -0.4
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]+	115.122976	121.6
[M+Na]+	137.104918	129.2
[M-H]-	113.108424	125.7
[M+NH4]+	132.149523	138.7
[M+K]+	153.078858	127.0
[M+H-H2O]+	97.112960	115.6
[M+HCOO]-	159.113901	147.3
[M+CH3COO]-	173.129551	178.1
[M+Na-2H]-	135.090366	129.0
[M]+	114.11515142	121.7
[M]-	114.11624858	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe