CID 12916003

699-23-0

Structural Information

Molecular Formula
C7H9NO2
SMILES
CCOC(=O)[C@@H]1C[C@@H]1C#N
InChI
InChI=1S/C7H9NO2/c1-2-10-7(9)6-3-5(6)4-8/h5-6H,2-3H2,1H3/t5-,6-/m1/s1
InChIKey
ABSAAQSCUQHJOC-PHDIDXHHSA-N
Compound name
ethyl (1R,2S)-2-cyanocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 128.7
[M+Na]+ 162.05254 139.9
[M+NH4]+ 157.09714 133.7
[M+K]+ 178.02648 133.7
[M-H]- 138.05604 128.5
[M+Na-2H]- 160.03799 133.2
[M]+ 139.06277 130.2
[M]- 139.06387 130.2
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.