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
4
Annotation Hits

0
References

210
Patents

143.05824 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 125.0
[M+Na]+ 166.047458 134.1
[M-H]- 142.050964 126.0
[M+NH4]+ 161.092063 144.5
[M+K]+ 182.021398 134.8
[M+H-H2O]+ 126.055500 113.8
[M+HCOO]- 188.056441 145.5
[M+CH3COO]- 202.072091 186.7
[M+Na-2H]- 164.032906 131.1
[M]+ 143.05769142 124.0
[M]- 143.05878858 124.0
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