CID 105733

Einecs 267-271-7

Structural Information

Molecular Formula
C18H28N3O2
SMILES
CCCCOC1=CC(=C(C=C1[N+]#N)OCCCC)N2CCCC2
InChI
InChI=1S/C18H28N3O2/c1-3-5-11-22-17-14-16(21-9-7-8-10-21)18(13-15(17)20-19)23-12-6-4-2/h13-14H,3-12H2,1-2H3/q+1
InChIKey
DSANQJQJQDGPHR-UHFFFAOYSA-N
Compound name
2,5-dibutoxy-4-pyrrolidin-1-ylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.21814 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22542 176.0
[M+Na]+ 341.20736 182.9
[M-H]- 317.21086 180.5
[M+NH4]+ 336.25196 189.2
[M+K]+ 357.18130 173.8
[M+H-H2O]+ 301.21540 162.7
[M+HCOO]- 363.21634 194.4
[M+CH3COO]- 377.23199 216.3
[M+Na-2H]- 339.19281 178.5
[M]+ 318.21759 173.0
[M]- 318.21869 173.0
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.