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]+ 207.112806 158.0
[M+Na]+ 229.094748 167.0
[M-H]- 205.098254 161.5
[M+NH4]+ 224.139353 172.8
[M+K]+ 245.068688 162.7
[M+H-H2O]+ 189.102790 143.5
[M+HCOO]- 251.103731 168.9
[M+CH3COO]- 265.119381 216.2
[M+Na-2H]- 227.080196 158.2
[M]+ 206.10498142 149.8
[M]- 206.10607858 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