CID 3048862

Brn 5556009

Structural Information

Molecular Formula
C13H13NO3
SMILES
CCOC(=O)N1C2=CC=CC=C2C(=O)C13CC3
InChI
InChI=1S/C13H13NO3/c1-2-17-12(16)14-10-6-4-3-5-9(10)11(15)13(14)7-8-13/h3-6H,2,7-8H2,1H3
InChIKey
JRVKLOZKVLCADU-UHFFFAOYSA-N
Compound name
ethyl 3'-oxospiro[cyclopropane-1,2'-indole]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.08954 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 155.6
[M+Na]+ 254.07876 167.0
[M-H]- 230.08226 162.1
[M+NH4]+ 249.12336 172.7
[M+K]+ 270.05270 163.3
[M+H-H2O]+ 214.08680 149.9
[M+HCOO]- 276.08774 176.2
[M+CH3COO]- 290.10339 191.4
[M+Na-2H]- 252.06421 160.2
[M]+ 231.08899 160.5
[M]- 231.09009 160.5
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