CID 2764066

55403-34-4

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₂

SMILES

CN1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H14N4O2/c1-12-4-6-13(7-5-12)10-3-2-9(8-11-10)14(15)16/h2-3,8H,4-7H2,1H3

InChIKey

DZIASOMGGPNYCU-UHFFFAOYSA-N

Compound name

1-methyl-4-(5-nitro-2-pyridinyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 222.11168 Da
Monoisotopic Mass: 0.9
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]+	223.118956	148.6
[M+Na]+	245.100898	154.2
[M-H]-	221.104404	150.9
[M+NH4]+	240.145503	161.6
[M+K]+	261.074838	147.5
[M+H-H2O]+	205.108940	143.6
[M+HCOO]-	267.109881	167.1
[M+CH3COO]-	281.125531	183.0
[M+Na-2H]-	243.086346	156.0
[M]+	222.11113142	142.9
[M]-	222.11222858	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe