CID 106406

Einecs 268-198-3

Structural Information

Molecular Formula
C13H17ClN3
SMILES
CN(C1CCCCC1)C2=CC(=C(C=C2)[N+]#N)Cl
InChI
InChI=1S/C13H17ClN3/c1-17(10-5-3-2-4-6-10)11-7-8-13(16-15)12(14)9-11/h7-10H,2-6H2,1H3/q+1
InChIKey
YPSSQIXQUZVCOT-UHFFFAOYSA-N
Compound name
2-chloro-4-[cyclohexyl(methyl)amino]benzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

250.1111 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.