CID 2737076

39911-29-0

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C12H14N2O3/c15-9-10-4-5-11(12(8-10)14(16)17)13-6-2-1-3-7-13/h4-5,8-9H,1-3,6-7H2

InChIKey

BNNMEAFYZHALEC-UHFFFAOYSA-N

Compound name

3-nitro-4-piperidin-1-ylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 234.10045 Da
Monoisotopic Mass: 2.2
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]+	235.10773	150.4
[M+Na]+	257.08967	163.6
[M+NH4]+	252.13427	158.3
[M+K]+	273.06361	159.5
[M-H]-	233.09317	154.9
[M+Na-2H]-	255.07512	157.3
[M]+	234.09990	153.3
[M]-	234.10100	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe