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

20
Patents

181.11028 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.117556 141.6
[M+Na]+ 204.099498 149.2
[M-H]- 180.103004 142.2
[M+NH4]+ 199.144103 159.7
[M+K]+ 220.073438 148.6
[M+H-H2O]+ 164.107540 130.1
[M+HCOO]- 226.108481 159.0
[M+CH3COO]- 240.124131 195.8
[M+Na-2H]- 202.084946 143.1
[M]+ 181.10973142 138.6
[M]- 181.11082858 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