CID 17874536

Methyl 2,2-diethoxyethanecarboximidate

Structural Information

Molecular Formula

C₇H₁₅NO₃

SMILES

CCOC(C(=N)OC)OCC

InChI

InChI=1S/C7H15NO3/c1-4-10-7(11-5-2)6(8)9-3/h7-8H,4-5H2,1-3H3

InChIKey

YKOUABZEDZDJEY-UHFFFAOYSA-N

Compound name

methyl 2,2-diethoxyethanimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 282
Patents: 161.1052 Da
Monoisotopic Mass: 0.8
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]+	162.112476	136.0
[M+Na]+	184.094418	141.8
[M-H]-	160.097924	136.2
[M+NH4]+	179.139023	156.5
[M+K]+	200.068358	143.0
[M+H-H2O]+	144.102460	130.7
[M+HCOO]-	206.103401	159.4
[M+CH3COO]-	220.119051	181.1
[M+Na-2H]-	182.079866	140.2
[M]+	161.10465142	139.1
[M]-	161.10574858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe