CID 1811610

Ethyl 2-cyano-3-methyl-2-nonenoate

Structural Information

Molecular Formula
C13H21NO2
SMILES
CCCCCC/C(=C(\C#N)/C(=O)OCC)/C
InChI
InChI=1S/C13H21NO2/c1-4-6-7-8-9-11(3)12(10-14)13(15)16-5-2/h4-9H2,1-3H3/b12-11+
InChIKey
WBEHYHSVLNHFFS-VAWYXSNFSA-N
Compound name
ethyl (E)-2-cyano-3-methylnon-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 153.4
[M+Na]+ 246.14645 161.4
[M+NH4]+ 241.19105 156.0
[M+K]+ 262.12039 153.4
[M-H]- 222.14995 144.6
[M+Na-2H]- 244.13190 152.5
[M]+ 223.15668 150.9
[M]- 223.15778 150.9
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.