CID 106469

1-(2,5-diethoxy-4-nitrophenyl)pyrrolidine

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CCOC1=CC(=C(C=C1N2CCCC2)OCC)[N+](=O)[O-]
InChI
InChI=1S/C14H20N2O4/c1-3-19-13-10-12(16(17)18)14(20-4-2)9-11(13)15-7-5-6-8-15/h9-10H,3-8H2,1-2H3
InChIKey
KBGMGRHASIXYHM-UHFFFAOYSA-N
Compound name
1-(2,5-diethoxy-4-nitrophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 165.3
[M+Na]+ 303.13152 170.6
[M-H]- 279.13502 170.5
[M+NH4]+ 298.17612 180.8
[M+K]+ 319.10546 164.6
[M+H-H2O]+ 263.13956 161.9
[M+HCOO]- 325.14050 187.7
[M+CH3COO]- 339.15615 194.3
[M+Na-2H]- 301.11697 168.5
[M]+ 280.14175 165.3
[M]- 280.14285 165.3
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.