CID 3017525

64485-87-6

Structural Information

Molecular Formula

C₇H₁₀ClNO₄

SMILES

CCOC(=O)C(=NOC)C(=O)CCl

InChI

InChI=1S/C7H10ClNO4/c1-3-13-7(11)6(9-12-2)5(10)4-8/h3-4H2,1-2H3

InChIKey

QQTHNMBPRSXIHX-UHFFFAOYSA-N

Compound name

ethyl 4-chloro-2-methoxyimino-3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 207.02983 Da
Monoisotopic Mass: 1.5
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]+	208.03711	140.0
[M+Na]+	230.01905	147.4
[M-H]-	206.02255	141.8
[M+NH4]+	225.06365	160.1
[M+K]+	245.99299	147.1
[M+H-H2O]+	190.02709	135.6
[M+HCOO]-	252.02803	160.3
[M+CH3COO]-	266.04368	188.0
[M+Na-2H]-	228.00450	143.4
[M]+	207.02928	146.4
[M]-	207.03038	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe