CID 2050002

159635-39-9

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1CNCCC12CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C13H15NO2/c15-11-9-13(5-7-14-8-6-13)16-12-4-2-1-3-10(11)12/h1-4,14H,5-9H2
InChIKey
QHNDQKSXDVVXIB-UHFFFAOYSA-N
Compound name
spiro[3H-chromene-2,4'-piperidine]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

411
Patents

217.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.117556 147.6
[M+Na]+ 240.099498 153.5
[M-H]- 216.103004 151.2
[M+NH4]+ 235.144103 165.6
[M+K]+ 256.073438 150.5
[M+H-H2O]+ 200.107540 139.8
[M+HCOO]- 262.108481 161.7
[M+CH3COO]- 276.124131 158.5
[M+Na-2H]- 238.084946 155.3
[M]+ 217.10973142 140.7
[M]- 217.11082858 140.7
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

patents stripe