CID 26888

Methyl acetimidate

Structural Information

Molecular Formula

SMILES

CC(=N)OC

InChI

InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3

InChIKey

SJFKGZZCMREBQH-UHFFFAOYSA-N

Compound name

methyl ethanimidate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 42
References: 3432
Patents: 73.052765 Da
Monoisotopic Mass: 0.2
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]+	74.060041	111.2
[M+Na]+	96.041983	119.0
[M-H]-	72.045489	112.2
[M+NH4]+	91.086588	135.4
[M+K]+	112.01592	119.9
[M+H-H2O]+	56.050025	107.2
[M+HCOO]-	118.05097	136.5
[M+CH3COO]-	132.06662	164.0
[M+Na-2H]-	94.027431	118.9
[M]+	73.052216	110.6
[M]-	73.053314	110.6

Literature stripe

literature stripe

Patent stripe

patents stripe