CID 225457

1-(2-nitrophenyl)piperidine

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O2/c14-13(15)11-7-3-2-6-10(11)12-8-4-1-5-9-12/h2-3,6-7H,1,4-5,8-9H2
InChIKey
WDAUAKBDZSYXEM-UHFFFAOYSA-N
Compound name
1-(2-nitrophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

102
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 144.4
[M+Na]+ 229.094748 148.7
[M-H]- 205.098254 149.0
[M+NH4]+ 224.139353 160.6
[M+K]+ 245.068688 142.4
[M+H-H2O]+ 189.102790 141.0
[M+HCOO]- 251.103731 165.3
[M+CH3COO]- 265.119381 179.3
[M+Na-2H]- 227.080196 151.4
[M]+ 206.10498142 137.9
[M]- 206.10607858 137.9
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