CID 91666556

71566-35-3

Structural Information

Molecular Formula
C16H24N3O2
SMILES
CCCOC1=CC(=C(C=C1[N+]#N)OCCC)N2CCCC2
InChI
InChI=1S/C16H24N3O2/c1-3-9-20-15-12-14(19-7-5-6-8-19)16(21-10-4-2)11-13(15)18-17/h11-12H,3-10H2,1-2H3/q+1
InChIKey
NQNLEOVNVLFNJZ-UHFFFAOYSA-N
Compound name
2,5-dipropoxy-4-pyrrolidin-1-ylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.18686 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19414 168.1
[M+Na]+ 313.17608 175.8
[M-H]- 289.17958 172.9
[M+NH4]+ 308.22068 182.3
[M+K]+ 329.15002 167.1
[M+H-H2O]+ 273.18412 155.2
[M+HCOO]- 335.18506 187.1
[M+CH3COO]- 349.20071 210.9
[M+Na-2H]- 311.16153 171.5
[M]+ 290.18631 164.5
[M]- 290.18741 164.5
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.