CID 3017960

Methyl 4-chloro-4-(methoxyimino)-3-oxobutanoate

Structural Information

Molecular Formula
C6H8ClNO4
SMILES
COC(=O)CC(=O)C(=NOC)Cl
InChI
InChI=1S/C6H8ClNO4/c1-11-5(10)3-4(9)6(7)8-12-2/h3H2,1-2H3
InChIKey
ZNMFQLZPKMZNBR-UHFFFAOYSA-N
Compound name
methyl 4-chloro-4-methoxyimino-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.01419 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02147 135.2
[M+Na]+ 216.00341 143.1
[M-H]- 192.00691 137.2
[M+NH4]+ 211.04801 155.9
[M+K]+ 231.97735 143.0
[M+H-H2O]+ 176.01145 131.1
[M+HCOO]- 238.01239 155.8
[M+CH3COO]- 252.02804 185.0
[M+Na-2H]- 213.98886 139.2
[M]+ 193.01364 141.2
[M]- 193.01474 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.