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
1
Annotation Hits

0
References

37
Patents

155.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 130.4
[M+Na]+ 178.04746 139.2
[M-H]- 154.05096 131.3
[M+NH4]+ 173.09206 149.4
[M+K]+ 194.02140 139.5
[M+H-H2O]+ 138.05550 119.1
[M+HCOO]- 200.05644 149.8
[M+CH3COO]- 214.07209 188.7
[M+Na-2H]- 176.03291 134.7
[M]+ 155.05769 128.4
[M]- 155.05879 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

patents stripe