CID 6452556

Dtxsid80887871

Structural Information

Molecular Formula

C₁₂H₁₆N₃O₂

SMILES

COC1=CC(=C(C=C1[N+]#N)OC)N2CCCC2

InChI

InChI=1S/C12H16N3O2/c1-16-11-8-10(15-5-3-4-6-15)12(17-2)7-9(11)14-13/h7-8H,3-6H2,1-2H3/q+1

InChIKey

VFQGZBWLZXXYHP-UHFFFAOYSA-N

Compound name

2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.12425 Da
Monoisotopic Mass: 3.1
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]+	235.13153	152.0
[M+Na]+	257.11347	161.3
[M-H]-	233.11697	157.6
[M+NH4]+	252.15807	168.4
[M+K]+	273.08741	153.6
[M+H-H2O]+	217.12151	139.9
[M+HCOO]-	279.12245	172.3
[M+CH3COO]-	293.13810	200.2
[M+Na-2H]-	255.09892	157.3
[M]+	234.12370	147.2
[M]-	234.12480	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe