CID 38358

Methoxymethyl-methylnitrosamine

Structural Information

Molecular Formula

C₃H₈N₂O₂

SMILES

CN(COC)N=O

InChI

InChI=1S/C3H8N2O2/c1-5(4-6)3-7-2/h3H2,1-2H3

InChIKey

CCHADYHJZUNBLT-UHFFFAOYSA-N

Compound name

N-(methoxymethyl)-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 104.05858 Da
Monoisotopic Mass: 0.1
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]+	105.06586	116.5
[M+Na]+	127.04780	124.0
[M-H]-	103.05130	120.1
[M+NH4]+	122.09240	140.3
[M+K]+	143.02174	127.2
[M+H-H2O]+	87.055840	111.1
[M+HCOO]-	149.05678	145.9
[M+CH3COO]-	163.07243	177.0
[M+Na-2H]-	125.03325	125.4
[M]+	104.05803	120.4
[M]-	104.05913	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe