CID 16226777

Ethyl 2-cyano-2-(1-cyanocyclopentyl)acetate

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CCOC(=O)C(C#N)C1(CCCC1)C#N
InChI
InChI=1S/C11H14N2O2/c1-2-15-10(14)9(7-12)11(8-13)5-3-4-6-11/h9H,2-6H2,1H3
InChIKey
OBABJTYJPFDGJW-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-2-(1-cyanocyclopentyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 158.0
[M+Na]+ 229.09475 167.0
[M-H]- 205.09825 161.5
[M+NH4]+ 224.13935 172.8
[M+K]+ 245.06869 162.7
[M+H-H2O]+ 189.10279 143.5
[M+HCOO]- 251.10373 168.9
[M+CH3COO]- 265.11938 216.2
[M+Na-2H]- 227.08020 158.2
[M]+ 206.10498 149.8
[M]- 206.10608 149.8
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