CID 5019943

855715-20-7

Structural Information

Molecular Formula
C11H11ClN2O4
SMILES
CCOC(=O)C1=C(OC(=C1C#N)NC(=O)CCl)C
InChI
InChI=1S/C11H11ClN2O4/c1-3-17-11(16)9-6(2)18-10(7(9)5-13)14-8(15)4-12/h3-4H2,1-2H3,(H,14,15)
InChIKey
MWYDQBJAHBXQQZ-UHFFFAOYSA-N
Compound name
ethyl 5-[(2-chloroacetyl)amino]-4-cyano-2-methylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.04074 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.048016 158.5
[M+Na]+ 293.029958 169.3
[M-H]- 269.033464 162.6
[M+NH4]+ 288.074563 174.5
[M+K]+ 309.003898 167.0
[M+H-H2O]+ 253.038000 146.7
[M+HCOO]- 315.038941 174.7
[M+CH3COO]- 329.054591 208.3
[M+Na-2H]- 291.015406 159.7
[M]+ 270.04019142 159.7
[M]- 270.04128858 159.7
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.