CID 110124

68391-59-3

Structural Information

Molecular Formula

C₁₃H₁₇ClN₃

SMILES

CN(C1CCCCC1)C2=C(C=C(C=C2)[N+]#N)Cl

InChI

InChI=1S/C13H17ClN3/c1-17(11-5-3-2-4-6-11)13-8-7-10(16-15)9-12(13)14/h7-9,11H,2-6H2,1H3/q+1

InChIKey

GJDYNZMOXRCDDI-UHFFFAOYSA-N

Compound name

3-chloro-4-[cyclohexyl(methyl)amino]benzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 250.1111 Da
Monoisotopic Mass: 5.1
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]+	251.11838	160.8
[M+Na]+	273.10032	168.7
[M-H]-	249.10382	167.9
[M+NH4]+	268.14492	177.0
[M+K]+	289.07426	158.9
[M+H-H2O]+	233.10836	149.8
[M+HCOO]-	295.10930	176.8
[M+CH3COO]-	309.12495	207.0
[M+Na-2H]-	271.08577	165.8
[M]+	250.11055	153.7
[M]-	250.11165	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe