CID 106471

1-(2-ethoxy-5-methyl-4-nitrophenyl)pyrrolidine

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C)N2CCCC2
InChI
InChI=1S/C13H18N2O3/c1-3-18-13-9-11(15(16)17)10(2)8-12(13)14-6-4-5-7-14/h8-9H,3-7H2,1-2H3
InChIKey
HCYYDULELNWPEC-UHFFFAOYSA-N
Compound name
1-(2-ethoxy-5-methyl-4-nitrophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 156.3
[M+Na]+ 273.12096 168.5
[M+NH4]+ 268.16556 164.1
[M+K]+ 289.09490 166.6
[M-H]- 249.12446 160.3
[M+Na-2H]- 271.10641 161.8
[M]+ 250.13119 158.9
[M]- 250.13229 158.9
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

No patent data available for this compound.