CID 5373109

3-(2-nitroethenyl)pyridine

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

C1=CC(=CN=C1)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C7H6N2O2/c10-9(11)5-3-7-2-1-4-8-6-7/h1-6H/b5-3+

InChIKey

HIXBXAXEKNYDHU-HWKANZROSA-N

Compound name

3-[(E)-2-nitroethenyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 46
Patents: 150.04292 Da
Monoisotopic Mass: 1.1
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]+	151.05020	127.6
[M+Na]+	173.03214	135.1
[M-H]-	149.03564	130.0
[M+NH4]+	168.07674	146.6
[M+K]+	189.00608	129.3
[M+H-H2O]+	133.04018	125.8
[M+HCOO]-	195.04112	153.0
[M+CH3COO]-	209.05677	167.6
[M+Na-2H]-	171.01759	137.8
[M]+	150.04237	125.4
[M]-	150.04347	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe