CID 74270

N-phenylethylenediamine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

C1=CC=C(C=C1)NCCN

InChI

InChI=1S/C8H12N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2

InChIKey

OCIDXARMXNJACB-UHFFFAOYSA-N

Compound name

N'-phenylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 2864
Patents: 136.10005 Da
Monoisotopic Mass: 0.6
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]+	137.10733	127.0
[M+Na]+	159.08927	133.2
[M-H]-	135.09277	130.1
[M+NH4]+	154.13387	147.9
[M+K]+	175.06321	131.1
[M+H-H2O]+	119.09731	121.0
[M+HCOO]-	181.09825	153.4
[M+CH3COO]-	195.11390	177.3
[M+Na-2H]-	157.07472	135.4
[M]+	136.09950	124.1
[M]-	136.10060	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe