CID 10820795

213316-32-6

Structural Information

Molecular Formula
C8H13NO2
SMILES
CCOC(=O)[C@]1(C[C@H]1C=C)N
InChI
InChI=1S/C8H13NO2/c1-3-6-5-8(6,9)7(10)11-4-2/h3,6H,1,4-5,9H2,2H3/t6-,8-/m1/s1
InChIKey
NBJXCTLFPNBZSG-HTRCEHHLSA-N
Compound name
ethyl (1R,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

599
Patents

155.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.1
[M+Na]+ 178.08386 142.6
[M-H]- 154.08736 137.8
[M+NH4]+ 173.12846 150.9
[M+K]+ 194.05780 140.8
[M+H-H2O]+ 138.09190 128.8
[M+HCOO]- 200.09284 156.4
[M+CH3COO]- 214.10849 182.1
[M+Na-2H]- 176.06931 138.2
[M]+ 155.09409 136.2
[M]- 155.09519 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe