CID 15956423

Chembl379605

Structural Information

Molecular Formula
C15H15NO3
SMILES
CCOC(=O)[C@H]1C[C@@]12C3=C(C=CC(=C3)C=C)NC2=O
InChI
InChI=1S/C15H15NO3/c1-3-9-5-6-12-10(7-9)15(14(18)16-12)8-11(15)13(17)19-4-2/h3,5-7,11H,1,4,8H2,2H3,(H,16,18)/t11-,15-/m1/s1
InChIKey
MEVYIBCLUVDDTE-IAQYHMDHSA-N
Compound name
ethyl (1'S,3S)-5-ethenyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.1052 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 161.4
[M+Na]+ 280.09442 172.6
[M-H]- 256.09792 166.5
[M+NH4]+ 275.13902 177.0
[M+K]+ 296.06836 166.9
[M+H-H2O]+ 240.10246 156.1
[M+HCOO]- 302.10340 180.0
[M+CH3COO]- 316.11905 195.7
[M+Na-2H]- 278.07987 164.2
[M]+ 257.10465 165.1
[M]- 257.10575 165.1
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

No patent data available for this compound.