CID 13586374

1265964-44-0

Structural Information

Molecular Formula
C16H18N2O3
SMILES
COC(=O)C1CC2CCCN2C13C4=CC=CC=C4NC3=O
InChI
InChI=1S/C16H18N2O3/c1-21-14(19)12-9-10-5-4-8-18(10)16(12)11-6-2-3-7-13(11)17-15(16)20/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,17,20)
InChIKey
GWGXYUQKCIFYGS-UHFFFAOYSA-N
Compound name
methyl 2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.139016 169.1
[M+Na]+ 309.120958 177.0
[M-H]- 285.124464 173.2
[M+NH4]+ 304.165563 191.0
[M+K]+ 325.094898 172.6
[M+H-H2O]+ 269.129000 163.2
[M+HCOO]- 331.129941 184.7
[M+CH3COO]- 345.145591 180.0
[M+Na-2H]- 307.106406 167.4
[M]+ 286.13119142 166.9
[M]- 286.13228858 166.9
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.