CID 15956412

Chembl380248

Structural Information

Molecular Formula
C14H15NO3
SMILES
CCOC(=O)[C@H]1C[C@@]12C3=C(C=CC(=C3)C)NC2=O
InChI
InChI=1S/C14H15NO3/c1-3-18-12(16)10-7-14(10)9-6-8(2)4-5-11(9)15-13(14)17/h4-6,10H,3,7H2,1-2H3,(H,15,17)/t10-,14-/m1/s1
InChIKey
FYCIJRTVEASZOU-QMTHXVAHSA-N
Compound name
ethyl (1'S,3S)-5-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.1052 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 157.9
[M+Na]+ 268.09442 169.3
[M-H]- 244.09792 163.2
[M+NH4]+ 263.13902 174.1
[M+K]+ 284.06836 164.4
[M+H-H2O]+ 228.10246 152.8
[M+HCOO]- 290.10340 176.7
[M+CH3COO]- 304.11905 193.6
[M+Na-2H]- 266.07987 161.2
[M]+ 245.10465 162.0
[M]- 245.10575 162.0
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.