CID 106467

Einecs 272-291-4

Structural Information

Molecular Formula
C14H20N3O2
SMILES
CCOC1=CC(=C(C=C1[N+]#N)OCC)N2CCCC2
InChI
InChI=1S/C14H20N3O2/c1-3-18-13-10-12(17-7-5-6-8-17)14(19-4-2)9-11(13)16-15/h9-10H,3-8H2,1-2H3/q+1
InChIKey
LIOPHAXJDTZPQV-UHFFFAOYSA-N
Compound name
2,5-diethoxy-4-pyrrolidin-1-ylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.15555 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16283 160.1
[M+Na]+ 285.14477 168.6
[M-H]- 261.14827 165.3
[M+NH4]+ 280.18937 175.4
[M+K]+ 301.11871 160.4
[M+H-H2O]+ 245.15281 147.5
[M+HCOO]- 307.15375 179.7
[M+CH3COO]- 321.16940 205.6
[M+Na-2H]- 283.13022 164.4
[M]+ 262.15500 155.9
[M]- 262.15610 155.9
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

patents stripe