CID 25106

2-methoxyethyl cyanoacetate

Structural Information

Molecular Formula
C6H9NO3
SMILES
COCCOC(=O)CC#N
InChI
InChI=1S/C6H9NO3/c1-9-4-5-10-6(8)2-3-7/h2,4-5H2,1H3
InChIKey
SGLKIEOMYXTGBH-UHFFFAOYSA-N
Compound name
2-methoxyethyl 2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

196
Patents

143.05824 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 128.5
[M+Na]+ 166.04746 137.8
[M+NH4]+ 161.09206 132.0
[M+K]+ 182.02140 130.4
[M-H]- 142.05096 120.0
[M+Na-2H]- 164.03291 129.5
[M]+ 143.05769 126.3
[M]- 143.05879 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe