CID 45639

Fourneau 1571

Structural Information

Molecular Formula

C₁₄H₂₄N₂

SMILES

CCN(CC)CCN(CC)C1=CC=CC=C1

InChI

InChI=1S/C14H24N2/c1-4-15(5-2)12-13-16(6-3)14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3

InChIKey

BXEFFCMWYFJKBI-UHFFFAOYSA-N

Compound name

N,N,N'-triethyl-N'-phenylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 220.19395 Da
Monoisotopic Mass: 3.6
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]+	221.201226	155.8
[M+Na]+	243.183168	159.6
[M-H]-	219.186674	161.2
[M+NH4]+	238.227773	174.8
[M+K]+	259.157108	159.1
[M+H-H2O]+	203.191210	147.9
[M+HCOO]-	265.192151	181.7
[M+CH3COO]-	279.207801	203.3
[M+Na-2H]-	241.168616	160.2
[M]+	220.19340142	158.5
[M]-	220.19449858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe