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
3
Annotation Hits

0
References

1614
Patents

155.05824 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 130.1
[M+Na]+ 178.047458 138.8
[M-H]- 154.050964 131.0
[M+NH4]+ 173.092063 149.0
[M+K]+ 194.021398 139.1
[M+H-H2O]+ 138.055500 118.8
[M+HCOO]- 200.056441 149.5
[M+CH3COO]- 214.072091 189.3
[M+Na-2H]- 176.032906 134.4
[M]+ 155.05769142 128.1
[M]- 155.05878858 128.1
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