CID 6452556

Dtxsid80887871

Structural Information

Molecular Formula
C12H16N3O2
SMILES
COC1=CC(=C(C=C1[N+]#N)OC)N2CCCC2
InChI
InChI=1S/C12H16N3O2/c1-16-11-8-10(15-5-3-4-6-15)12(17-2)7-9(11)14-13/h7-8H,3-6H2,1-2H3/q+1
InChIKey
VFQGZBWLZXXYHP-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.12425 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13153 151.5
[M+Na]+ 257.11347 164.2
[M+NH4]+ 252.15807 157.0
[M+K]+ 273.08741 157.2
[M-H]- 233.11697 149.0
[M+Na-2H]- 255.09892 156.2
[M]+ 234.12370 152.0
[M]- 234.12480 152.0
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.