CID 20493948

Ns00051223

Structural Information

Molecular Formula

C₁₁H₁₄N₃

SMILES

CC1=C(C(=CC=C1)[N+]#N)C2CCNC2

InChI

InChI=1S/C11H14N3/c1-8-3-2-4-10(14-12)11(8)9-5-6-13-7-9/h2-4,9,13H,5-7H2,1H3/q+1

InChIKey

LEWFNGLTKMSWRY-UHFFFAOYSA-N

Compound name

3-methyl-2-pyrrolidin-3-ylbenzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 188.11877 Da
Monoisotopic Mass: 2.7
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]+	189.126046	144.6
[M+Na]+	211.107988	153.5
[M-H]-	187.111494	148.8
[M+NH4]+	206.152593	161.9
[M+K]+	227.081928	144.0
[M+H-H2O]+	171.116030	133.0
[M+HCOO]-	233.116971	163.5
[M+CH3COO]-	247.132621	190.4
[M+Na-2H]-	209.093436	150.3
[M]+	188.11822142	135.1
[M]-	188.11931858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe