CID 106410

Einecs 268-201-8

Structural Information

Molecular Formula
C12H16N3
SMILES
C1CCCN(CC1)C2=CC=C(C=C2)[N+]#N
InChI
InChI=1S/C12H16N3/c13-14-11-5-7-12(8-6-11)15-9-3-1-2-4-10-15/h5-8H,1-4,9-10H2/q+1
InChIKey
SBOLCYKLZJQAKZ-UHFFFAOYSA-N
Compound name
4-(azepan-1-yl)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.13443 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14171 147.0
[M+Na]+ 225.12365 152.7
[M-H]- 201.12715 152.5
[M+NH4]+ 220.16825 161.3
[M+K]+ 241.09759 148.3
[M+H-H2O]+ 185.13169 135.2
[M+HCOO]- 247.13263 164.2
[M+CH3COO]- 261.14828 196.3
[M+Na-2H]- 223.10910 153.8
[M]+ 202.13388 135.0
[M]- 202.13498 135.0
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.