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

11
Patents

206.10553 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 145.3
[M+Na]+ 229.094748 151.4
[M-H]- 205.098254 150.7
[M+NH4]+ 224.139353 163.7
[M+K]+ 245.068688 145.1
[M+H-H2O]+ 189.102790 142.6
[M+HCOO]- 251.103731 168.4
[M+CH3COO]- 265.119381 179.9
[M+Na-2H]- 227.080196 150.3
[M]+ 206.10498142 141.2
[M]- 206.10607858 141.2
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