CID 96873

74037-56-2

Structural Information

Molecular Formula

C₈H₁₁N₃O₃

SMILES

COCCNC1=NC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H11N3O3/c1-14-5-4-9-8-3-2-7(6-10-8)11(12)13/h2-3,6H,4-5H2,1H3,(H,9,10)

InChIKey

MQTQGKHTBLYEGM-UHFFFAOYSA-N

Compound name

N-(2-methoxyethyl)-5-nitropyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 197.08005 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]+	198.08733	138.8
[M+Na]+	220.06927	150.9
[M+NH4]+	215.11387	146.0
[M+K]+	236.04321	148.0
[M-H]-	196.07277	141.6
[M+Na-2H]-	218.05472	145.2
[M]+	197.07950	141.0
[M]-	197.08060	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe