CID 105742

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

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2
InChI
InChI=1S/C11H14N2O2/c1-9-8-10(13(14)15)4-5-11(9)12-6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3
InChIKey
GUZLPJVFYLEHSV-UHFFFAOYSA-N
Compound name
1-(2-methyl-4-nitrophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

206.10553 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 144.4
[M+Na]+ 229.09475 157.0
[M+NH4]+ 224.13935 153.0
[M+K]+ 245.06869 154.9
[M-H]- 205.09825 148.9
[M+Na-2H]- 227.08020 151.0
[M]+ 206.10498 147.2
[M]- 206.10608 147.2
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