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]+ 287.13902 169.1
[M+Na]+ 309.12096 177.0
[M-H]- 285.12446 173.2
[M+NH4]+ 304.16556 191.0
[M+K]+ 325.09490 172.6
[M+H-H2O]+ 269.12900 163.2
[M+HCOO]- 331.12994 184.7
[M+CH3COO]- 345.14559 180.0
[M+Na-2H]- 307.10641 167.4
[M]+ 286.13119 166.9
[M]- 286.13229 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.