CID 89125

2-ethoxyethyl 2-cyanoacrylate

Structural Information

Molecular Formula
C8H11NO3
SMILES
CCOCCOC(=O)C(=C)C#N
InChI
InChI=1S/C8H11NO3/c1-3-11-4-5-12-8(10)7(2)6-9/h2-5H2,1H3
InChIKey
IQDPHMACOQAPBQ-UHFFFAOYSA-N
Compound name
2-ethoxyethyl 2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1268
Patents

169.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 134.1
[M+Na]+ 192.06312 142.5
[M-H]- 168.06662 134.9
[M+NH4]+ 187.10772 152.6
[M+K]+ 208.03706 142.6
[M+H-H2O]+ 152.07116 122.7
[M+HCOO]- 214.07210 153.2
[M+CH3COO]- 228.08775 192.0
[M+Na-2H]- 190.04857 137.9
[M]+ 169.07335 132.5
[M]- 169.07445 132.5
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