CID 286692

Ethyl 2-cyanocyclopropane-1-carboxylate

Structural Information

Molecular Formula
C7H9NO2
SMILES
CCOC(=O)C1CC1C#N
InChI
InChI=1S/C7H9NO2/c1-2-10-7(9)6-3-5(6)4-8/h5-6H,2-3H2,1H3
InChIKey
ABSAAQSCUQHJOC-UHFFFAOYSA-N
Compound name
ethyl 2-cyanocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

139.06332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 124.3
[M+Na]+ 162.05254 139.8
[M-H]- 138.05604 131.1
[M+NH4]+ 157.09714 141.6
[M+K]+ 178.02648 135.5
[M+H-H2O]+ 122.06058 115.4
[M+HCOO]- 184.06152 146.3
[M+CH3COO]- 198.07717 190.2
[M+Na-2H]- 160.03799 131.4
[M]+ 139.06277 125.6
[M]- 139.06387 125.6
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