CID 11724

Methyl nitrate

Structural Information

Molecular Formula

SMILES

CO[N+](=O)[O-]

InChI

InChI=1S/CH3NO3/c1-5-2(3)4/h1H3

InChIKey

LRMHVVPPGGOAJQ-UHFFFAOYSA-N

Compound name

methyl nitrate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 41
References: 26301
Patents: 77.01129 Da
Monoisotopic Mass: 0.5
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]+	78.018566	107.4
[M+Na]+	100.00051	116.0
[M-H]-	76.004014	108.6
[M+NH4]+	95.045113	130.9
[M+K]+	115.97445	113.8
[M+H-H2O]+	60.008550	108.3
[M+HCOO]-	122.00949	134.5
[M+CH3COO]-	136.02514	155.2
[M+Na-2H]-	97.985956	117.9
[M]+	77.010741	107.3
[M]-	77.011839	107.3

Literature stripe

literature stripe

Patent stripe

patents stripe