CID 3061598

Brn 5568157

Structural Information

Molecular Formula
C15H17NO3
SMILES
CCCCOC(=O)N1C2=CC=CC=C2C(=O)C13CC3
InChI
InChI=1S/C15H17NO3/c1-2-3-10-19-14(18)16-12-7-5-4-6-11(12)13(17)15(16)8-9-15/h4-7H,2-3,8-10H2,1H3
InChIKey
CZQKPPFDMMHBHV-UHFFFAOYSA-N
Compound name
butyl 3'-oxospiro[cyclopropane-1,2'-indole]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.128126 164.2
[M+Na]+ 282.110068 174.7
[M-H]- 258.113574 170.2
[M+NH4]+ 277.154673 180.2
[M+K]+ 298.084008 170.5
[M+H-H2O]+ 242.118110 158.1
[M+HCOO]- 304.119051 184.1
[M+CH3COO]- 318.134701 197.0
[M+Na-2H]- 280.095516 167.7
[M]+ 259.12030142 169.7
[M]- 259.12139858 169.7
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.