CID 3003991

Methyl 2-cyano-3-ethoxyacrylate

Structural Information

Molecular Formula
C7H9NO3
SMILES
CCO/C=C(\C#N)/C(=O)OC
InChI
InChI=1S/C7H9NO3/c1-3-11-5-6(4-8)7(9)10-2/h5H,3H2,1-2H3/b6-5+
InChIKey
FYXVHJJZGRTONS-AATRIKPKSA-N
Compound name
methyl (E)-2-cyano-3-ethoxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
Patents

155.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 130.4
[M+Na]+ 178.047458 139.2
[M-H]- 154.050964 131.3
[M+NH4]+ 173.092063 149.4
[M+K]+ 194.021398 139.5
[M+H-H2O]+ 138.055500 119.1
[M+HCOO]- 200.056441 149.8
[M+CH3COO]- 214.072091 188.7
[M+Na-2H]- 176.032906 134.7
[M]+ 155.05769142 128.4
[M]- 155.05878858 128.4
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.