CID 417238

85545-58-0

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

CN(C)C1=CC(=C(C=C1)N)N

InChI

InChI=1S/C8H13N3/c1-11(2)6-3-4-7(9)8(10)5-6/h3-5H,9-10H2,1-2H3

InChIKey

AEPYIICGYIUTCV-UHFFFAOYSA-N

Compound name

4-N,4-N-dimethylbenzene-1,2,4-triamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 151.11095 Da
Monoisotopic Mass: 0.8
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]+	152.11823	132.0
[M+Na]+	174.10017	142.7
[M+NH4]+	169.14477	140.8
[M+K]+	190.07411	137.4
[M-H]-	150.10367	136.3
[M+Na-2H]-	172.08562	138.9
[M]+	151.11040	134.5
[M]-	151.11150	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe