CID 8026

Ethyl nitrite

Structural Information

Molecular Formula

SMILES

CCON=O

InChI

InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3

InChIKey

QQZWEECEMNQSTG-UHFFFAOYSA-N

Compound name

ethyl nitrite

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 41
References: 5676
Patents: 75.03203 Da
Monoisotopic Mass: 0.4
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]+	76.039306	107.7
[M+Na]+	98.021248	116.4
[M-H]-	74.024754	110.0
[M+NH4]+	93.065853	132.4
[M+K]+	113.99519	118.5
[M+H-H2O]+	58.029290	103.3
[M+HCOO]-	120.03023	136.0
[M+CH3COO]-	134.04588	165.6
[M+Na-2H]-	96.006696	117.8
[M]+	75.031481	110.8
[M]-	75.032579	110.8

Literature stripe

literature stripe

Patent stripe

patents stripe