CID 73556558

Dtxsid80887558

Structural Information

Molecular Formula
C16H24N3O2
SMILES
CCOC1=CC(=C(C=C1[N+]#N)OCC)N2CCCCCC2
InChI
InChI=1S/C16H24N3O2/c1-3-20-15-12-14(19-9-7-5-6-8-10-19)16(21-4-2)11-13(15)18-17/h11-12H,3-10H2,1-2H3/q+1
InChIKey
GXHJEYQPNVGISU-UHFFFAOYSA-N
Compound name
4-(azepan-1-yl)-2,5-diethoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.18686 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19414 166.7
[M+Na]+ 313.17608 172.1
[M-H]- 289.17958 172.3
[M+NH4]+ 308.22068 178.5
[M+K]+ 329.15002 168.7
[M+H-H2O]+ 273.18412 154.3
[M+HCOO]- 335.18506 183.2
[M+CH3COO]- 349.20071 211.6
[M+Na-2H]- 311.16153 170.8
[M]+ 290.18631 158.8
[M]- 290.18741 158.8
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.