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]+ 271.04802 158.5
[M+Na]+ 293.02996 169.3
[M-H]- 269.03346 162.6
[M+NH4]+ 288.07456 174.5
[M+K]+ 309.00390 167.0
[M+H-H2O]+ 253.03800 146.7
[M+HCOO]- 315.03894 174.7
[M+CH3COO]- 329.05459 208.3
[M+Na-2H]- 291.01541 159.7
[M]+ 270.04019 159.7
[M]- 270.04129 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.