CID 87099

Einecs 262-505-4

Structural Information

Molecular Formula

C₉H₁₂N₃

SMILES

CCNC1=C(C=C(C=C1)[N+]#N)C

InChI

InChI=1S/C9H12N3/c1-3-11-9-5-4-8(12-10)6-7(9)2/h4-6,11H,3H2,1-2H3/q+1

InChIKey

VPMZFRCOUNREJJ-UHFFFAOYSA-N

Compound name

4-(ethylamino)-3-methylbenzenediazonium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 162.10312 Da
Monoisotopic Mass: 3.3
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]+	163.11040	135.8
[M+Na]+	185.09234	149.3
[M+NH4]+	180.13694	142.3
[M+K]+	201.06628	140.0
[M-H]-	161.09584	134.0
[M+Na-2H]-	183.07779	141.8
[M]+	162.10257	136.7
[M]-	162.10367	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe