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

114
Patents

139.06332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 124.3
[M+Na]+ 162.052538 139.8
[M-H]- 138.056044 131.1
[M+NH4]+ 157.097143 141.6
[M+K]+ 178.026478 135.5
[M+H-H2O]+ 122.060580 115.4
[M+HCOO]- 184.061521 146.3
[M+CH3COO]- 198.077171 190.2
[M+Na-2H]- 160.037986 131.4
[M]+ 139.06277142 125.6
[M]- 139.06386858 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