CID 15925817

4-(4-nitrophenyl)piperidine hydrochloride

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1CNCCC1C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O2/c14-13(15)11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-4,10,12H,5-8H2
InChIKey
CDSJZBOLNDWPAA-UHFFFAOYSA-N
Compound name
4-(4-nitrophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

406
Patents

206.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 144.2
[M+Na]+ 229.094748 148.1
[M-H]- 205.098254 147.4
[M+NH4]+ 224.139353 159.7
[M+K]+ 245.068688 140.8
[M+H-H2O]+ 189.102790 141.1
[M+HCOO]- 251.103731 163.6
[M+CH3COO]- 265.119381 176.5
[M+Na-2H]- 227.080196 150.8
[M]+ 206.10498142 135.9
[M]- 206.10607858 135.9
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

patents stripe