CID 10979

Propyl nitrite

Structural Information

Molecular Formula

SMILES

CCCON=O

InChI

InChI=1S/C3H7NO2/c1-2-3-6-4-5/h2-3H2,1H3

InChIKey

KAOQVXHBVNKNHA-UHFFFAOYSA-N

Compound name

propyl nitrite

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 1733
Patents: 89.047676 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]+	90.054952	112.4
[M+Na]+	112.036894	120.6
[M-H]-	88.040400	114.6
[M+NH4]+	107.081499	136.6
[M+K]+	128.010834	122.5
[M+H-H2O]+	72.044936	107.8
[M+HCOO]-	134.045877	140.4
[M+CH3COO]-	148.061527	168.6
[M+Na-2H]-	110.022342	121.9
[M]+	89.04712742	115.9
[M]-	89.04822458	115.9

Literature stripe

literature stripe

Patent stripe

patents stripe