CID 469966

N-isopropyl-n'-phenylethylenediamine

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CC(C)NCCNC1=CC=CC=C1

InChI

InChI=1S/C11H18N2/c1-10(2)12-8-9-13-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3

InChIKey

PGTSOSNUVMICIE-UHFFFAOYSA-N

Compound name

N-phenyl-N'-propan-2-ylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 178.147 Da
Monoisotopic Mass: 1.9
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]+	179.15428	141.5
[M+Na]+	201.13622	146.0
[M-H]-	177.13972	144.6
[M+NH4]+	196.18082	160.9
[M+K]+	217.11016	144.0
[M+H-H2O]+	161.14426	134.8
[M+HCOO]-	223.14520	166.4
[M+CH3COO]-	237.16085	188.0
[M+Na-2H]-	199.12167	148.0
[M]+	178.14645	140.0
[M]-	178.14755	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe