CID 349978

Ethyl 2-cyano-3-ethylpent-2-enoate

Structural Information

Molecular Formula
C10H15NO2
SMILES
CCC(=C(C#N)C(=O)OCC)CC
InChI
InChI=1S/C10H15NO2/c1-4-8(5-2)9(7-11)10(12)13-6-3/h4-6H2,1-3H3
InChIKey
OSEDKDYNLMQYJO-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-ethylpent-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

181.11028 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 141.6
[M+Na]+ 204.09950 149.2
[M-H]- 180.10300 142.2
[M+NH4]+ 199.14410 159.7
[M+K]+ 220.07344 148.6
[M+H-H2O]+ 164.10754 130.1
[M+HCOO]- 226.10848 159.0
[M+CH3COO]- 240.12413 195.8
[M+Na-2H]- 202.08495 143.1
[M]+ 181.10973 138.6
[M]- 181.11083 138.6
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