CID 97558

N-ethyl-5-nitropyridin-2-amine

Structural Information

Molecular Formula

C₇H₉N₃O₂

SMILES

CCNC1=NC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C7H9N3O2/c1-2-8-7-4-3-6(5-9-7)10(11)12/h3-5H,2H2,1H3,(H,8,9)

InChIKey

XEGSKOYSJGIUCY-UHFFFAOYSA-N

Compound name

N-ethyl-5-nitropyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 167.06947 Da
Monoisotopic Mass: 1.9
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]+	168.07675	131.2
[M+Na]+	190.05869	144.0
[M+NH4]+	185.10329	139.2
[M+K]+	206.03263	140.8
[M-H]-	166.06219	134.5
[M+Na-2H]-	188.04414	138.3
[M]+	167.06892	133.7
[M]-	167.07002	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe