CID 169544

33864-17-4

Structural Information

Molecular Formula

C₁₂H₁₈N₃

SMILES

CCCN(CCC)C1=CC=C(C=C1)[N+]#N

InChI

InChI=1S/C12H18N3/c1-3-9-15(10-4-2)12-7-5-11(14-13)6-8-12/h5-8H,3-4,9-10H2,1-2H3/q+1

InChIKey

AYBQACMMCUKFJV-UHFFFAOYSA-N

Compound name

4-(dipropylamino)benzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 204.15007 Da
Monoisotopic Mass: 4.5
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]+	205.15735	149.5
[M+Na]+	227.13929	157.3
[M-H]-	203.14279	154.8
[M+NH4]+	222.18389	167.0
[M+K]+	243.11323	150.9
[M+H-H2O]+	187.14733	138.2
[M+HCOO]-	249.14827	172.5
[M+CH3COO]-	263.16392	203.2
[M+Na-2H]-	225.12474	156.7
[M]+	204.14952	145.8
[M]-	204.15062	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe