CID 119721

2-methoxyethyl 2-cyanoacrylate

Structural Information

Molecular Formula
C7H9NO3
SMILES
COCCOC(=O)C(=C)C#N
InChI
InChI=1S/C7H9NO3/c1-6(5-8)7(9)11-4-3-10-2/h1,3-4H2,2H3
InChIKey
JYTXVMYBYRTJTI-UHFFFAOYSA-N
Compound name
2-methoxyethyl 2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1567
Patents

155.05824 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 132.3
[M+Na]+ 178.04746 141.1
[M+NH4]+ 173.09206 135.3
[M+K]+ 194.02140 134.2
[M-H]- 154.05096 123.4
[M+Na-2H]- 176.03291 132.6
[M]+ 155.05769 129.8
[M]- 155.05879 129.8
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