CID 2774482

2-nitro-5-piperidinophenol

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C11H14N2O3/c14-11-8-9(4-5-10(11)13(15)16)12-6-2-1-3-7-12/h4-5,8,14H,1-3,6-7H2

InChIKey

DDKAQSBPHIORAR-UHFFFAOYSA-N

Compound name

2-nitro-5-piperidin-1-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 222.10045 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.10773	147.3
[M+Na]+	245.08967	151.9
[M-H]-	221.09317	150.8
[M+NH4]+	240.13427	162.3
[M+K]+	261.06361	145.2
[M+H-H2O]+	205.09771	144.2
[M+HCOO]-	267.09865	166.9
[M+CH3COO]-	281.11430	179.7
[M+Na-2H]-	243.07512	153.4
[M]+	222.09990	140.7
[M]-	222.10100	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe