CID 12231

Methyl nitrite

Structural Information

Molecular Formula

SMILES

CON=O

InChI

InChI=1S/CH3NO2/c1-4-2-3/h1H3

InChIKey

BLLFVUPNHCTMSV-UHFFFAOYSA-N

Compound name

methyl nitrite

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 30
References: 5696
Patents: 61.016376 Da
Monoisotopic Mass: 0.0
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]+	62.023652	102.9
[M+Na]+	84.005594	112.1
[M-H]-	60.009100	105.5
[M+NH4]+	79.050199	128.3
[M+K]+	99.979534	114.5
[M+H-H2O]+	44.013636	98.8
[M+HCOO]-	106.01458	131.6
[M+CH3COO]-	120.03023	162.5
[M+Na-2H]-	81.991042	113.6
[M]+	61.015827	105.7
[M]-	61.016925	105.7

Literature stripe

literature stripe

Patent stripe

patents stripe