CID 105741

1-(2-methoxy-4-nitrophenyl)pyrrolidine

Structural Information

Molecular Formula
C11H14N2O3
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2
InChI
InChI=1S/C11H14N2O3/c1-16-11-8-9(13(14)15)4-5-10(11)12-6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3
InChIKey
ULBJILHSWMGASA-UHFFFAOYSA-N
Compound name
1-(2-methoxy-4-nitrophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

69
Patents

222.10045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 148.4
[M+Na]+ 245.089668 154.3
[M-H]- 221.093174 153.7
[M+NH4]+ 240.134273 166.1
[M+K]+ 261.063608 148.5
[M+H-H2O]+ 205.097710 145.5
[M+HCOO]- 267.098651 171.6
[M+CH3COO]- 281.114301 182.0
[M+Na-2H]- 243.075116 153.6
[M]+ 222.09990142 145.7
[M]- 222.10099858 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe