CID 14599989

5-isocyanato-2-methoxypyridine

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

COC1=NC=C(C=C1)N=C=O

InChI

InChI=1S/C7H6N2O2/c1-11-7-3-2-6(4-8-7)9-5-10/h2-4H,1H3

InChIKey

JWFJBXAKNZCOLA-UHFFFAOYSA-N

Compound name

5-isocyanato-2-methoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 150.04292 Da
Monoisotopic Mass: 2.0
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	128.0
[M+Na]+	173.03214	141.0
[M+NH4]+	168.07674	135.9
[M+K]+	189.00608	134.7
[M-H]-	149.03564	129.9
[M+Na-2H]-	171.01759	135.8
[M]+	150.04237	130.2
[M]-	150.04347	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe