CID 89471

Ethanimidic acid, n-methoxy-, ethyl ester

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CCOC(=NOC)C

InChI

InChI=1S/C5H11NO2/c1-4-8-5(2)6-7-3/h4H2,1-3H3

InChIKey

NZYMDDNXBAMPRN-UHFFFAOYSA-N

Compound name

ethyl N-methoxyethanimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 117.07898 Da
Monoisotopic Mass: 1.1
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]+	118.086256	122.8
[M+Na]+	140.068198	130.2
[M-H]-	116.071704	124.9
[M+NH4]+	135.112803	146.1
[M+K]+	156.042138	132.0
[M+H-H2O]+	100.076240	117.9
[M+HCOO]-	162.077181	149.2
[M+CH3COO]-	176.092831	174.2
[M+Na-2H]-	138.053646	130.0
[M]+	117.07843142	126.3
[M]-	117.07952858	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe